3,3-Difluorocyclobutanol - CAS 637031-88-0

Catalog:	BB032244
Product Name:	3,3-Difluorocyclobutanol
CAS:	637031-88-0
Synonyms:	3,3-difluoro-1-cyclobutanol; 3,3-difluorocyclobutan-1-ol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,3-difluorocyclobutan-1-ol
Description:	3,3-Difluorocyclobutanol (CAS# 637031-88-0) is a starting material and useful building block of various pharmaceuticals.
Molecular Weight:	108.09
Molecular Formula:	C4H6F2O
Canonical SMILES:	C1C(CC1(F)F)O
InChI:	InChI=1S/C4H6F2O/c5-4(6)1-3(7)2-4/h3,7H,1-2H2
InChI Key:	BFLCYDVYEGKWSQ-UHFFFAOYSA-N
LogP:	0.77640

Publication Number	Title	Priority Date
WO-2021212062-A1	Hypoxia inducible factor-2(alpha) inhibitors and their use in the treatment of diseases	20200416
WO-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
WO-2021176366-A1	Inhibitors of human immunodeficiency virus replication	20200306
WO-2021117846-A1	Compound serving as pdgf receptor kinase inhibitor, and composition	20191213
WO-2021089683-A1	Inhibitors of adrenoreceptor adrac2	20191106

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GHS Hazard Statement:	H226 (40%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	73.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.03867113
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	108.03867113
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8