AG00BCBO

21987-29-1 | 4,4-Difluoropiperidine

AG00BCBO

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CAS Number	21987-29-1
Catalog Number	AG00BCBO(AGN-PC-0KKMG3)
Chemical Name	4,4-Difluoropiperidine
IUPAC Name	4,4-difluoropiperidine
InChI	InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2
InChI Key	MJOUJKDTBGXKIU-UHFFFAOYSA-N
MDL Number	MFCD03094281
Molecular Formula	C5H9F2N
Molecular Weight	121.1285
SMILES	FC1(F)CCNCC1
Synonyms	4,4-difluoropiperidine, 21987-29-1, 4,4-difluoro-Piperidine, Piperidine, 4,4-difluoro-, difluoropiperidine, 4,4-difluoropiperidin, AC1MBXYL, 4,4-difluro-piperidine, 4-,4-difluoropiperidine, 4,4-Difluoro-piperidinium, ACMC-209fq9, Piperidine,4,4-difluoro-, SCHEMBL13457, CHEMBL1162292, CTK4E8139, DTXSID80374291, MJOUJKDTBGXKIU-UHFFFAOYSA-N, KS-00000NU3, ZINC2243193, ANW-24655, MFCD03094281, AKOS005063363, LS20131, RP19407, AJ-34236, AK-46259, AS-32676, BC222523, SC-48150, SC-48710, AB0023469, DB-001279, ST2405236, TR-010321, 4CH-018121, A4716, AM20090207, CS-0028285, FT-0654043, W4534, D40037, K-6232, 65120-EP2280001A1, 65120-EP2308812A2, 987D291, 3S110851, J-514004, F2158-0926, 4-difluoropiperidine, C5H9F2N, CID2758352, 1137-00-4,

Complexity	74.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	121.07g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	121.131g/mol
Monoisotopic Mass	121.07g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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