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1-[3-(Trifluoromethyl)phenyl]cyclobutanecarboxylic Acid

1-[3-(Trifluoromethyl)phenyl]cyclobutanecarboxylic Acid - CAS 151157-58-3

Catalog:	BB010632
Product Name:	1-[3-(Trifluoromethyl)phenyl]cyclobutanecarboxylic Acid
CAS:	151157-58-3
Synonyms:	1-[3-(trifluoromethyl)phenyl]-1-cyclobutanecarboxylic acid; 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
Description:	1-[3-(Trifluoromethyl)phenyl]cyclobutanecarboxylic Acid (CAS# 151157-58-3) is a useful research chemical.
Molecular Weight:	244.21
Molecular Formula:	C12H11F3O2
Canonical SMILES:	C1CC(C1)(C2=CC(=CC=C2)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C12H11F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(10(16)17)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,16,17)
InChI Key:	OEIXASDDYLPZFJ-UHFFFAOYSA-N
LogP:	3.21170

Publication Number	Title	Priority Date
AU-662584-B2	Substituted tetrahydroisoquinolines and their use as therapeutic agents	19911223
BG-62326-B1	Tetrahydroisoquinoline compounds and their appliaction as therapuetical substances	19911223
BG-98822-A	Tetrahydroisoquinoline compounds	19911223
CA-2126308-A1	Therapeutic agents	19911223
CZ-153494-A3	Tetrahydroisoquinoline derivatives, process of their preparation, their use as a medicament and pharmaceutical composition containing such derivatives	19911223

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	307
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.07111408
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.07111408
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2