2,2,2,3',5'-Pentafluoroacetophenone - CAS 845823-12-3

Catalog:	BB037245
Product Name:	2,2,2,3',5'-Pentafluoroacetophenone
CAS:	845823-12-3
Synonyms:	1-(3,5-difluorophenyl)-2,2,2-trifluoroethanone; 1-(3,5-difluorophenyl)-2,2,2-trifluoroethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(3,5-difluorophenyl)-2,2,2-trifluoroethanone
Description:	2,2,2,3',5'-Pentafluoroacetophenone (CAS# 845823-12-3) is a useful research chemical.
Molecular Weight:	210.10
Molecular Formula:	C8H3F5O
Canonical SMILES:	C1=C(C=C(C=C1F)F)C(=O)C(F)(F)F
InChI:	InChI=1S/C8H3F5O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChI Key:	VPJBBHOADBTNFQ-UHFFFAOYSA-N
Boiling Point:	173.4 °C at 760 mmHg
Density:	1.441 g/cm³
MDL:	MFCD01319993
LogP:	2.70980

Publication Number	Title	Priority Date
AU-2017346516-A1	Piperidine derivatives as inhibitors of ubiquitin specific protease 7	20161020
CN-110088096-A	The piperidine derivative of inhibitor as ubiquitin-specific protease 7	20161020
EP-3529241-A1	Piperidine derivatives as inhibitors of ubiquitin specific protease 7	20161020
US-2019256518-A1	Piperidine derivatives as inhibitors of ubiquitin specific protease 7	20161020
WO-2018073602-A1	Piperidine derivatives as inhibitors of ubiquitin specific protease 7	20161020

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	214
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9