3,3-difluoro-piperidine - CAS 363179-66-2

Catalog:	BB022936
Product Name:	3,3-difluoro-piperidine
CAS:	363179-66-2
Synonyms:	3,3-difluoropiperidine; 3,3-difluoropiperidine

Technical Data

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Computed Properties

IUPAC Name:	3,3-difluoropiperidine
Description:	3,3-difluoro-piperidine (CAS# 363179-66-2) is a useful research chemical.
Molecular Weight:	121.13
Molecular Formula:	C5H9F2N
Canonical SMILES:	C1CC(CNC1)(F)F
InChI:	InChI=1S/C5H9F2N/c6-5(7)2-1-3-8-4-5/h8H,1-4H2
InChI Key:	UOGQPXQDNUHUIB-UHFFFAOYSA-N
Boiling Point:	114.3 °C at 760 mmHg
Purity:	95 %
Density:	1.08 g/cm³
MDL:	MFCD03093852
LogP:	1.33390

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021155227-A1	Indazole derivatives as cannabanoid receptor partial agonists	20200130
US-2021047287-A1	Nonpeptide somatostatin type 5 receptor agonists and uses thereof	20190814
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
US-2021002293-A1	Heterocyclic compounds as bet inhibitors	20190702

PMID	Publication Date	Title	Journal
19713111	20091001	Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(l)-prolyl}-4-[(3',5'-dichloro-isonicotinoyl) amino]-(l)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid

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Complexity:	82.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.07030562
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	121.07030562
Rotatable Bond Count:	0
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1