2-fluoro-1- (3-fluorophenyl) ethanone

CAT: 0127-PC1010362-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1010362-01Size:250 mg

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CAS Number

1335113-29-5

MDL Number

MFCD24712982

Purity

95%

Smiles

C (=O) (CF) c1cc (F) ccc1

Chemical Information

2-Fluoro-1-(3-fluorophenyl)ethan-1-one

CAS Number	1335113-29-5
PubChem CID	22442009
IUPAC Name	2-fluoro-1-(3-fluorophenyl)ethanone
Molecular Formula	C8H6F2O
Molecular Weight	156.13
XLogP	2.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	147

SMILES

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

InChI

InChI=1S/C8H6F2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2

InChIKey

LJHPTBGNCUCBQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1335113-29-5

CID: 22442009

Formula: C8H6F2O

MW: 156.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.13
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	156.03867113
Monoisotopic Mass	156.03867113
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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
PC201134	2-Fluoro-1- (2-fluorophenyl) ethanone
PC1021481	2-fluoro-1- (4-fluorophenyl) ethanone
PC100265-01	1- (5-Fluoro-2-hydroxyphenyl) -2- (3-fluorophenyl) ethanone
PC1021515-01	2-chloro-2-fluoro-1- (4-fluorophenyl) -Ethanone
PC49589	1- (2-Amino-3-fluorophenyl) ethanone
PC106493	1-[3- (2-Fluorophenyl) phenyl]ethanone
PC1014511-01	1-[3- (Cyclopropylmethoxy) -2-fluorophenyl]ethanone
PC100315-01	1- (3- (Difluoromethyl) -2-fluorophenyl) ethanone
PC103403-01	1- (3-Amino-2-fluorophenyl) ethanone
PC1012273-01	1- (2-ethoxy-3-fluorophenyl) ethanone

Catalog	Name
CGC41284	2-Fluoro-1- (2-fluorophenyl) ethanone
IXB41891-01	1- (2-Fluorophenyl) -2- (3-fluorophenyl) ethanone
RG-F122105-01	1- (2-Fluorophenyl) Ethanone
sc-287877A	2-Chloro-1- (3-fluorophenyl) ethanone
TRC-C380325-10G	1-(2-Chloro-3-fluorophenyl)ethanone
AR-P02554-01	1-cyclopropyl-2- (3-fluorophenyl) ethanone
407518	1- (2-Chloro-3-fluorophenyl) ethanone
sc-258429A	1- (3-Fluorophenyl) -2- (methylsulphonyl) ethanone
407735-01	1- (3-Bromo-2-fluorophenyl) ethanone
JXB75466-01	1- (2-Fluorophenyl) -2- (4-fluorophenyl) ethanone