2-cyclopentyl-3-fluorobutanenitrile

C9H14FN — CID 105430339

IUPAC2-cyclopentyl-3-fluorobutanenitrile
SMILESCC(F)C(C#N)C1CCCC1
InChIInChI=1S/C9H14FN/c1-7(10)9(6-11)8-4-2-3-5-8/h7-9H,2-5H2,1H3
InChIKeyGUNBCJSTEGMXJS-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.67
Rot. Bonds2

About 2-cyclopentyl-3-fluorobutanenitrile

2-cyclopentyl-3-fluorobutanenitrile (PubChem CID 105430339) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-cyclopentyl-3-fluorobutanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-3-fluorobutanenitrile
PubChem CID105430339
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-cyclopentyl-3-fluorobutanenitrile
SMILESCC(F)C(C#N)C1CCCC1
InChIInChI=1S/C9H14FN/c1-7(10)9(6-11)8-4-2-3-5-8/h7-9H,2-5H2,1H3
InChIKeyGUNBCJSTEGMXJS-UHFFFAOYSA-N
XLogP2.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
CID 15459077
2-[(1R,3S)-3-fluoro-2,2,3-trimethylcyclopentyl]acetonitrile
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2-Cyclopentylbutyronitrile
CID 83681760
2-Cyclopentyl-6,6,6-trifluorohexanenitrile
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2-Cyclohexyl-2-fluoropropanenitrile
CID 84820326
8-Fluoro-2,4-dimethylcyclooctane-1-carbonitrile
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2,2-Difluoro-3-methyl-4-propyloctanenitrile
CID 143472243
2-Fluoro-4-methylcycloheptane-1-carbonitrile
CID 146499111
5-Fluoro-2-methylcycloheptane-1-carbonitrile
CID 154966748
9-Fluoro-4,7-dimethylnonanenitrile
CID 156326086
2-(2-Fluoropropan-2-yl)hexadecanenitrile
CID 156382587
2-[3-Ethyl-2-(trifluoromethyl)cyclopentyl]acetonitrile
CID 173597676

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-fluorobutanenitrile?
The IUPAC name of 2-cyclopentyl-3-fluorobutanenitrile (CID 105430339) is 2-cyclopentyl-3-fluorobutanenitrile.
What is the SMILES notation for 2-cyclopentyl-3-fluorobutanenitrile?
The canonical SMILES for 2-cyclopentyl-3-fluorobutanenitrile is CC(F)C(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-fluorobutanenitrile?
The InChIKey is GUNBCJSTEGMXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(10)9(6-11)8-4-2-3-5-8/h7-9H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-3-fluorobutanenitrile?
2-cyclopentyl-3-fluorobutanenitrile has a molecular weight of 155.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-fluorobutanenitrile is sourced from PubChem (CID 105430339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).