2,2,2,3',4'-Pentafluoroacetophenone - CAS 302912-28-3

Catalog:	BB020528
Product Name:	2,2,2,3',4'-Pentafluoroacetophenone
CAS:	302912-28-3
Synonyms:	1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3,4-difluorophenyl)-2,2,2-trifluoroethanone
Description:	2,2,2,3',4'-Pentafluoroacetophenone (CAS# 302912-28-3 ) is a useful research chemical.
Molecular Weight:	210.10
Molecular Formula:	C8H3F5O
Canonical SMILES:	C1=CC(=C(C=C1C(=O)C(F)(F)F)F)F
InChI:	InChI=1S/C8H3F5O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3H
InChI Key:	WEKSIOBQIQXAEE-UHFFFAOYSA-N
Boiling Point:	187.6 °C at 760 mmHg
Purity:	95 %
Density:	1.464 g/cm³
MDL:	MFCD01319992
LogP:	2.70980

Publication Number	Title	Priority Date
AU-2014211728-A1	Spiro-quinazolinone derivatives useful for the treatment of neurological diseases and conditions	20130204
AU-2014211728-B2	Spiro-quinazolinone derivatives useful for the treatment of neurological diseases and conditions	20130204
CA-2899957-A1	Spiro-quinazolinone derivatives useful for the treatment of neurological diseases and conditions	20130204
CN-104955826-A	Spiro-quinazolinone derivatives useful for the treatment of neurological diseases and conditions	20130204
CN-104955826-B	It can be used for treating spiral shell-Quinzolone derivatives of neurological disorder and illness	20130204

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[351-28-0]
3'-Fluoroacetanilide

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.01040553
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.01040553
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1