Ethyl 3-Cyclopropyl-2,2-difluoropropanoate - CAS 1267593-90-7

Catalog:	BB006656
Product Name:	Ethyl 3-Cyclopropyl-2,2-difluoropropanoate
CAS:	1267593-90-7
Synonyms:	3-cyclopropyl-2,2-difluoropropanoic acid ethyl ester; ethyl 3-cyclopropyl-2,2-difluoropropanoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 3-cyclopropyl-2,2-difluoropropanoate
Description:	Ethyl 3-Cyclopropyl-2,2-difluoropropanoate (CAS# 1267593-90-7) is a useful research chemical.
Molecular Weight:	178.18
Molecular Formula:	C8H12F2O2
Canonical SMILES:	CCOC(=O)C(CC1CC1)(F)F
InChI:	InChI=1S/C8H12F2O2/c1-2-12-7(11)8(9,10)5-6-3-4-6/h6H,2-5H2,1H3
InChI Key:	GKQCAZRAOOHGOF-UHFFFAOYSA-N
LogP:	1.98490

Publication Number	Title	Priority Date
US-2011046406-A1	Process for the preparation of (s)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof	20090819
US-8324417-B2	Process for the preparation of (S)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof	20090819
WO-2011022429-A2	Process for the preparation of (s)-2-amino-5-cyclopropyl-4,4-difluoropentanoic acid and alkyl esters and acid salts thereof	20090819

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.08053595
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.08053595
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6