1- (2-Fluorophenyl) cyclopentanecarbonitrile

CAT: 0127-PC109571-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC109571-01Size:100 mg

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CAS Number

214262-89-2

MDL Number

MFCD00800612

Purity

95%

Smiles

Fc1ccccc1C2(CCCC2)C#N

Chemical Information

1-(2-Fluorophenyl)cyclopentane-1-carbonitrile

CAS Number	214262-89-2
PubChem CID	2733237
IUPAC Name	1-(2-fluorophenyl)cyclopentane-1-carbonitrile
Molecular Formula	C12H12FN
Molecular Weight	189.23
XLogP	3.1
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	246

SMILES

C1CCC(C1)(C#N)C2=CC=CC=C2F

InChI

InChI=1S/C12H12FN/c13-11-6-2-1-5-10(11)12(9-14)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2

InChIKey

KFRPRFWZCDHYKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 214262-89-2

CID: 2733237

Formula: C12H12FN

MW: 189.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.23
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.095377549
Monoisotopic Mass	189.095377549
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	246
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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Catalog	Name
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