3,3-Difluorocyclopentanecarboxylic Acid - CAS 1260897-05-9

Catalog:	BB006439
Product Name:	3,3-Difluorocyclopentanecarboxylic Acid
CAS:	1260897-05-9
Synonyms:	3,3-difluoro-1-cyclopentanecarboxylic acid; 3,3-difluorocyclopentane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3,3-difluorocyclopentane-1-carboxylic acid
Description:	3,3-Difluorocyclopentanecarboxylic Acid (CAS# 1260897-05-9) is an intermediate in preparation of linked bisimidazoles, bisbenzimidazoles and analogs.
Molecular Weight:	150.12
Molecular Formula:	C6H8F2O2
Canonical SMILES:	C1CC(CC1C(=O)O)(F)F
InChI:	InChI=1S/C6H8F2O2/c7-6(8)2-1-4(3-6)5(9)10/h4H,1-3H2,(H,9,10)
InChI Key:	DXLZFZGHXIZHFB-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.50640

Publication Number	Title	Priority Date
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809
WO-2021027647-A1	Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof	20190809
CN-111825654-A	Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof	20190419
WO-2020211836-A1	Benzene piperidine derivative, preparation method therefor, intermediate thereof and use thereof	20190419
TW-201940485-A	Aminopyrrolotriamidine as a kinase inhibitor	20180126

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.04923582
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.04923582
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3