4,4,4-Trifluoro-2,2-dimethylbutyric Acid - CAS 939399-07-2

Catalog:	BB041135
Product Name:	4,4,4-Trifluoro-2,2-dimethylbutyric Acid
CAS:	939399-07-2
Synonyms:	4,4,4-trifluoro-2,2-dimethylbutanoic acid; 4,4,4-trifluoro-2,2-dimethylbutanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4,4-trifluoro-2,2-dimethylbutanoic acid
Description:	4,4,4-Trifluoro-2,2-dimethylbutyric Acid (CAS# 939399-07-2) is a useful research chemical.
Molecular Weight:	170.13
Molecular Formula:	C6H9F3O2
Canonical SMILES:	CC(C)(CC(F)(F)F)C(=O)O
InChI:	InChI=1S/C6H9F3O2/c1-5(2,4(10)11)3-6(7,8)9/h3H2,1-2H3,(H,10,11)
InChI Key:	GCPLLNZGWOPZLF-UHFFFAOYSA-N
LogP:	2.04960

Publication Number	Title	Priority Date
WO-2020099882-A1	Heterocyclic spiro-compounds as am2 receptor inhibitors	20181115
CN-113227091-A	As AM2Heterocyclic spiro-compounds as receptor inhibitors	20181115
EP-3880679-A1	Heterocyclic spiro-compounds as am2 receptor inhibitors	20181115
KR-20210102261-A	Heterocyclic spiro-compounds as AM2 receptor inhibitors	20181115
CA-3063809-A1	Compounds	20170517

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[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:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.05546401
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.05546401
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1