4’- (Pentafluoroethyl) acetophenone

CAT: 0127-PC50120Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

133512-64-8

MDL Number

MFCD26729803

Purity

=95%

Smiles

CC(=O)c1ccc(cc1)C(F)(F)C(F)(F)F

Chemical Information

1-[4-(Pentafluoroethyl)phenyl]ethan-1-one

CAS Number	133512-64-8
PubChem CID	15134943
IUPAC Name	1-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]ethanone
Molecular Formula	C10H7F5O
Molecular Weight	238.15
XLogP	3.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	263

SMILES

CC(=O)C1=CC=C(C=C1)C(C(F)(F)F)(F)F

InChI

InChI=1S/C10H7F5O/c1-6(16)7-2-4-8(5-3-7)9(11,12)10(13,14)15/h2-5H,1H3

InChIKey

MJKWGQSNHHRITB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133512-64-8

CID: 15134943

Formula: C10H7F5O

MW: 238.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.15
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	238.04170565
Monoisotopic Mass	238.04170565
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	263
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC50122	3’- (Pentafluoroethyl) acetophenone
PC50137	2’- (Pentafluoroethyl) acetophenone
PC48485	4- (Pentafluoroethyl) benzonitrile
PC50125	4- (Pentafluoroethyl) phenol
PC50111	4- (Pentafluoroethyl) aniline
PC250029-01	4- (Pentafluoroethyl) aniline hydrochloride
PC50113	4- (Pentafluoroethyl) benzoic acid
PC408828	Ethyl 4- (pentafluoroethyl) benzoate
PC7433E-01	4'- (Trifluoromethoxy) acetophenone
PC8042-01	4'- (Trifluoromethylthio) acetophenone

Catalog	Name
sc-331668	(Pentafluoroethyl) benzene
sc-257982	(Pentafluoroethyl) trimethylsilane
GTR19235958-01	Pentafluoroethyl triethylsilane
C6969-500	Acetophenone