AG00371V

61718-80-7 | 5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one

AG00371V

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CAS Number	61718-80-7
Catalog Number	AG00371V(AGN-PC-0JSDB7)
Chemical Name	5-Methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one
IUPAC Name	5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one
InChI	InChI=1S/C13H15F3O2/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-8H,2-4,9H2,1H3
InChI Key	VYKSRLDHXQURKA-UHFFFAOYSA-N
MDL Number	MFCD06658173
Molecular Formula	C13H15F3O2
Molecular Weight	260.2522
SMILES	O=C(C1=CC=C(C(F)(F)F)C=C1)CCCCOC
UNII	8D8A03845N
Synonyms	61718-80-7, Fluvoxketone, 5-METHOXY-1-[4-(TRIFLUOROMETHYL)PHENYL]-1-PENTANONE, 5-methoxy-1-(4-(trifluoromethyl)phenyl)pentan-1-one, (4-Methoxybutyl)(4-trifluoromethylphenyl)methanone, Fluvoxamine (ketone), 5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one, UNII-8D8A03845N, 5-Methoxy-4'-(trifluoromethyl)valerophenone, VYKSRLDHXQURKA-UHFFFAOYSA-N, 5-Methoxy-1-(4-trifluoromethyl-phenyl)-pentan-1-one, 8D8A03845N, AK-35868, Q-101520, 1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, AC1LB1NI, EC 425-000-1, KSC497C0F, SCHEMBL2671567, CTK3J7102, DTXSID60210724, BCP10170, KS-00000GW9, ZX-AP004286, ANW-44785, KM0539, MFCD06658173, PC2055, SBB063707, ZINC16158744, AKOS005064032, AC-1407, PS-7367, RTC-062574, ABA-9885731, 5-methoxy-4'-trifluoromethylvalerophenone, 5-Methoxy-4-Trifluoromethyl Valerophenone, AJ-68586, AN-14968, BC226181, CC-00726, CJ-15436, Q404, SC-13382, AX8014724, DB-001107, ST2406292, TC-062574, FT-0640783, omega-Methoxy-4'-(trifluoromethyl)valerophenone, 718M807, C-16227, I01-2672, 5-Methoxy-1-[4-(trifluoromethyl)-phenyl]pentan-1-one, C13H15F3O2, CID527103, 5-Methoxy-1-[4- phenyl]-1-pentanone, A8549, (S)-(-)-2-PIPERAZINECARBOXYLIC ACID, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-1-pentanone, (E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.102g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.256g/mol
Monoisotopic Mass	260.102g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number