3,3,3-Trifluoro-2-phenylpropionic Acid - CAS 56539-85-6

Catalog:	BB029395
Product Name:	3,3,3-Trifluoro-2-phenylpropionic Acid
CAS:	56539-85-6
Synonyms:	3,3,3-trifluoro-2-phenylpropanoic acid; 3,3,3-trifluoro-2-phenylpropanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3,3,3-trifluoro-2-phenylpropanoic acid
Description:	3,3,3-Trifluoro-2-phenylpropionic Acid (CAS# 56539-85-6) is a useful research chemical.
Molecular Weight:	204.15
Molecular Formula:	C9H7F3O2
Canonical SMILES:	C1=CC=C(C=C1)C(C(=O)O)C(F)(F)F
InChI:	InChI=1S/C9H7F3O2/c10-9(11,12)7(8(13)14)6-4-2-1-3-5-6/h1-5,7H,(H,13,14)
InChI Key:	HQRSIMQXCAWAJB-UHFFFAOYSA-N
Boiling Point:	239.1 °C at 760 mmHg
Density:	1.356 g/cm³
LogP:	2.41710

Publication Number	Title	Priority Date
WO-2021065898-A1	Azepan derivative	20190930
WO-2020140043-A1	Compounds for use as therapeutically active substances in the treatment and/or prevention of neuroretinal diseases	20181228
US-2020216446-A1	Synthesis of key intermediate of kras g12c inhibitor compound	20181116
CN-111100130-A	4-amino pyrrolopyrimidine derivatives, and preparation method and application thereof	20181029
BR-112020018738-A2	PROCESS FOR THE PREPARATION OF (4S) -4- (4-CYANO-2-METOXYphenyl) -5-ETOXY-2,8-DIMETHYL-1,4-DIHYDRO-1,6-NAFTIRIDIN-3-CARBOXAMIDE THROUGH DISSOCIATION OF RACEMATE THROUGH DIASTEREOMERIC TARTARIC ACID ESTERS	20180424

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[4313-03-5]
2,4-Heptadienal

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.03981395
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.03981395
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8