1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile

C9H14FN — CID 130514224

IUPAC1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(CCF)C1
InChIInChI=1S/C9H14FN/c1-8-2-3-9(6-8,7-11)4-5-10/h8H,2-6H2,1H3
InChIKeyXRIKANIGOHKKII-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.68
Rot. Bonds2

About 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile

1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile (PubChem CID 130514224) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile
PubChem CID130514224
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(CCF)C1
InChIInChI=1S/C9H14FN/c1-8-2-3-9(6-8,7-11)4-5-10/h8H,2-6H2,1H3
InChIKeyXRIKANIGOHKKII-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Dimethylcyclopentane-1-carbonitrile
CID 10057496
3,3-Dimethylcyclopentanecarbonitrile
CID 22992861
2-(3-Fluoro-2,2,3-trimethylcyclopentyl)acetonitrile
CID 15459077
2-[(1R,3S)-3-fluoro-2,2,3-trimethylcyclopentyl]acetonitrile
CID 177598404
3-(3-Ethyl-2-fluorocyclopentyl)propanenitrile
CID 173597692
3-Ethyl-2-fluorocyclopentane-1-carbonitrile
CID 173597709
2-(3-Ethyl-2-fluorocyclopentyl)acetonitrile
CID 173597749
2-Cyclopentyl-2-methylpropanedinitrile
CID 101397763
2-Cyclopentyl-3-fluoropropanenitrile
CID 105428238
2-Cyclopentyl-3-fluorobutanenitrile
CID 105430339
3-(3,3-Difluorocyclopentyl)-2,2-dimethylpropanenitrile
CID 126974566
1-(2-Fluoroethyl)cyclopentane-1-carbonitrile
CID 126977218

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile (CID 130514224) is 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile is CC1CCC(C#N)(CCF)C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile?
The InChIKey is XRIKANIGOHKKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-8-2-3-9(6-8,7-11)4-5-10/h8H,2-6H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile?
1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile has a molecular weight of 155.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 130514224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).