AG00E1CS

50549-24-1 | 5-(Trifluoromethyl)piperidin-2-one

AG00E1CS

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CAS Number	50549-24-1
Catalog Number	AG00E1CS(AGN-PC-0WD2TO)
Chemical Name	5-(Trifluoromethyl)piperidin-2-one
IUPAC Name	5-(trifluoromethyl)piperidin-2-one
InChI	InChI=1S/C6H8F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h4H,1-3H2,(H,10,11)
InChI Key	YRKCLUZAQCBIII-UHFFFAOYSA-N
MDL Number	MFCD08444614
Molecular Formula	C6H8F3NO
Molecular Weight	167.1290
SMILES	O=C1NCC(C(F)(F)F)CC1
Synonyms	5-(trifluoromethyl)piperidin-2-one, 50549-24-1, AC1Q4JNQ, SCHEMBL1262601, CTK7H3338, DTXSID90585492, YRKCLUZAQCBIII-UHFFFAOYSA-N, 2-Piperidinone,5-(trifluoromethyl)-, MFCD08444614, AKOS009114953, MCULE-2945377023, NE38884, BS-11741, EN001660, SC-53894, EN300-29977, Z228584834,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.056g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.131g/mol
Monoisotopic Mass	167.056g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number