4,4-Difluoropiperidine - CAS 21987-29-1

Catalog:	BB017246
Product Name:	4,4-Difluoropiperidine
CAS:	21987-29-1
Synonyms:	4,4-difluoropiperidine; 4,4-difluoropiperidine

Technical Data

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Computed Properties

IUPAC Name:	4,4-difluoropiperidine
Description:	4,4-Difluoropiperidine (CAS# 21987-29-1) is a useful research chemical.
Molecular Weight:	121.13
Molecular Formula:	C5H9F2N
Canonical SMILES:	C1CNCCC1(F)F
InChI:	InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2
InChI Key:	MJOUJKDTBGXKIU-UHFFFAOYSA-N
Boiling Point:	114.3 °C at 760 mmHg
Density:	1.08 g/cm³
MDL:	MFCD03094281
LogP:	1.33390

Publication Number	Title	Priority Date
CN-112062804-A	Arenobufagin derivative, preparation method thereof, pharmaceutical composition and application	20200731
WO-2021211549-A1	Kif18a inhibitors for treatment of neoplastic diseases	20200414
WO-2021202964-A1	Allosteric chromenone inhibitors of phosphoinositide 3-kinase (pi3k) for the treatment of diseases associated with p13k modulation	20200403
WO-2021170797-A1	PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS	20200226
WO-2021155227-A1	Indazole derivatives as cannabanoid receptor partial agonists	20200130

PMID	Publication Date	Title	Journal
15028263	20040401	SSR182289A, a selective and potent orally active thrombin inhibitor	Bioorganic & medicinal chemistry

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Related Functional Groups

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GHS Hazard Statement:	H302+H312+H332 (97.44%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	74.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.07030562
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1