AG0032HC

848821-76-1 | (S)-Alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol

AG0032HC

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CAS Number	848821-76-1
Catalog Number	AG0032HC(AGN-PC-0UV2O6)
Chemical Name	(S)-Alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol
IUPAC Name	bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methanol
InChI	InChI=1S/C21H15F12NO/c22-18(23,24)12-4-10(5-13(8-12)19(25,26)27)17(35,16-2-1-3-34-16)11-6-14(20(28,29)30)9-15(7-11)21(31,32)33/h4-9,16,34-35H,1-3H2/t16-/m0/s1
InChI Key	ITXPGQOGEYWAKW-INIZCTEOSA-N
MDL Number	MFCD10566964
Molecular Formula	C21H15F12NO
Molecular Weight	525.3307
SMILES	FC(C=1C=C(C=C(C1)C(F)(F)F)C([C@H]1NCCC1)(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(F)F
Synonyms	848821-76-1, (S)-Bis(3,5-bis(trifluoromethyl)phenyl)(pyrrolidin-2-yl)methanol, (S)-2-{BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDROXYMETHYL}PYRROLIDINE, (s)-alpha,alpha-bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, (S)-,-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, (S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl](hydroxy)methyl]pyrrolidine, 2-Pyrrolidinemethanol, a,a-bis[3,5-bis(trifluoromethyl)phenyl]-, (2S)-, (S)-2-[bis(3,5-bis(trifluoromethyl)phenyl)hydroxymethyl]pyrrolidine, (S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]pyrrolidine, (S)-Bis[3,5-bis(trifluoromethyl)phenyl](pyrrolidin-2-yl)methanol, SCHEMBL5536844, (R)-|A,|A-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, (R)-alpha,alpha-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, CTK8F0826, KS-00000SWE, ITXPGQOGEYWAKW-INIZCTEOSA-N, MFCD10566964, AKOS025287323, ZINC100124530, ACN-043528, DS-9525, RD-0076, SC-68080, RT-011111, B5701, CS-0044515, J-510322, (S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxym, (Pyrrolidine-2alpha-yl)bis[3,5-bis(trifluoromethyl)phenyl]methanol, (R)-?,?-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, (S)-2-[bis(3,5-bis-trifluoromethylphenyl)hydroxymethyl]pyrrolidine, (S)-|A,|A-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, (S)-alpha,alpha-Bis[3,5-bis(trifluoromethyl)phenyl]-2-pyrrolidinemethanol, >=99.0%, 2-Ethyl-5-methylthiophene, CID11973958, 948595-00-4, Bis[3,5-bis(trifluoromethyl)phenyl]-[(2S)-pyrrolidin-2-yl]methanol,

Complexity	634
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	525.096g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	525.338g/mol
Monoisotopic Mass	525.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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