1- (2-Fluorophenyl) pentan-1-one

CAT: 0127-PC1002952-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1002952-01Size:250 mg

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CAS Number

42916-67-6

MDL Number

MFCD14533473

Purity

95%

Smiles

CCCCC(C1=CC=CC=C1F)=O

Chemical Information

1-(2-Fluorophenyl)pentan-1-one

CAS Number	42916-67-6
PubChem CID	19746867
IUPAC Name	1-(2-fluorophenyl)pentan-1-one
Molecular Formula	C11H13FO
Molecular Weight	180.22
XLogP	3.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	167

SMILES

CCCCC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C11H13FO/c1-2-3-8-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3

InChIKey

YFKMUHNAUFPGMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42916-67-6

CID: 19746867

Formula: C11H13FO

MW: 180.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.22
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	180.095043196
Monoisotopic Mass	180.095043196
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	167
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
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PC1003093-01	5- (4-Fluorophenyl) pentan-1-amine
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OR1066962-01	1- (Thiophen-2-yl) pentan-1-one
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Catalog	Name
435958-01	5-Chloro-1- (2-fluorophenyl) pentan-2-one
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407981-01	1- (4-Bromo-2-fluorophenyl) pentan-1-one
408229-01	1- (5-Bromo-2-fluorophenyl) pentan-1-one
sc-503977	1-Bromo-5-chloro-1- (2-fluorophenyl) pentan-2-one
TRC-B680540-2.5G	1-Bromo-5-chloro-1-(2-fluorophenyl)pentan-2-one
T203932-01	1- (2-Furyl) pentan-1-one
ZKC19589-01	4-{[ (2-Fluorophenyl) methyl]amino}pentan-1-ol
RYB00355-01	5- (4-Fluorophenyl) pentan-1-amine