Benzyl 3,3-Difluorocyclobutanecarboxylate - CAS 935273-86-2

Catalog:	BB040955
Product Name:	Benzyl 3,3-Difluorocyclobutanecarboxylate
CAS:	935273-86-2
Synonyms:	3,3-difluoro-1-cyclobutanecarboxylic acid (phenylmethyl) ester; benzyl 3,3-difluorocyclobutane-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl 3,3-difluorocyclobutane-1-carboxylate
Description:	Benzyl 3,3-Difluorocyclobutanecarboxylate (CAS# 935273-86-2) is a useful research chemical.
Molecular Weight:	226.22
Molecular Formula:	C12H12F2O2
Canonical SMILES:	C1C(CC1(F)F)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C12H12F2O2/c13-12(14)6-10(7-12)11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:	RRSMHVQRSRIXGF-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.77510

Publication Number	Title	Priority Date
WO-2019099653-A1	Therapeutically active compounds and their methods of use	20171116
AU-2016254385-A1	JAK inhibitors	20150429
AU-2016254385-B2	JAK inhibitors	20150429
CA-2982493-A1	Jak inhibitors	20150429
CA-2982493-C	Jak inhibitors	20150429

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Carbonyl Compounds

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Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.08053595
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.08053595
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7