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1-[4-(Trifluoromethoxy)phenyl]cyclobutanecarboxylic Acid

1-[4-(Trifluoromethoxy)phenyl]cyclobutanecarboxylic Acid - CAS 151157-53-8

Catalog:	BB010629
Product Name:	1-[4-(Trifluoromethoxy)phenyl]cyclobutanecarboxylic Acid
CAS:	151157-53-8
Synonyms:	1-[4-(trifluoromethoxy)phenyl]-1-cyclobutanecarboxylic acid; 1-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	1-[4-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
Description:	1-[4-(Trifluoromethoxy)phenyl]cyclobutanecarboxylic Acid (CAS# 151157-53-8 ) is a useful research chemical.
Molecular Weight:	260.21
Molecular Formula:	C12H11F3O3
Canonical SMILES:	C1CC(C1)(C2=CC=C(C=C2)OC(F)(F)F)C(=O)O
InChI:	InChI=1S/C12H11F3O3/c13-12(14,15)18-9-4-2-8(3-5-9)11(10(16)17)6-1-7-11/h2-5H,1,6-7H2,(H,16,17)
InChI Key:	ZVKAMZKCLVRSDG-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
CA-3016303-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
EP-3448842-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
US-10118916-B2	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
US-2017305891-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
WO-2017187321-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426

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Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.06602869
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.06602869
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5