1,1,1-Trifluoro-3-methylbutan-2-one - CAS 382-03-6

Catalog:	BB023578
Product Name:	1,1,1-Trifluoro-3-methylbutan-2-one
CAS:	382-03-6
Synonyms:	1,1,1-trifluoro-3-methylbutan-2-one

Technical Data

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Computed Properties

IUPAC Name:	1,1,1-trifluoro-3-methylbutan-2-one
Description:	1,1,1-Trifluoro-3-methylbutan-2-one (CAS# 382-03-6) is a useful research chemical.
Molecular Weight:	140.10
Molecular Formula:	C5H7F3O
Canonical SMILES:	CC(C)C(=O)C(F)(F)F
InChI:	InChI=1S/C5H7F3O/c1-3(2)4(9)5(6,7)8/h3H,1-2H3
InChI Key:	NLCCAFQWEKMQLM-UHFFFAOYSA-N
Boiling Point:	69.4 °C at 760 mmHg
Density:	1.121 g/cm³
MDL:	MFCD08275465
LogP:	1.77380

Publication Number	Title	Priority Date
CN-113214794-A	Near-azeotropic mixture of trifluoroiodomethane and octafluorobutene, preparation method and application thereof	20210426
CN-210694412-U	Electrical device with heating device	20191115
WO-2021023616-A1	Alcohol derivatives as kv7 potassium channel openers for use in epilepsy or seizures	20190802
US-2020383960-A1	Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis	20190610
WO-2020250116-A1	Pyridine and pyrazine derivative for the treatment of cf, copd, and bronchiectasis	20190610

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.04489933
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.04489933
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1