2-cyclopentyl-2-(2-fluoroanilino)acetonitrile

C13H15FN2 — CID 62071587

IUPAC2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
SMILESN#CC(Nc1ccccc1F)C1CCCC1
InChIInChI=1S/C13H15FN2/c14-11-7-3-4-8-12(11)16-13(9-15)10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6H2
InChIKeyUVTFBNDGTANVIW-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.32
Rot. Bonds3

About 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile

2-cyclopentyl-2-(2-fluoroanilino)acetonitrile (PubChem CID 62071587) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
PubChem CID62071587
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-cyclopentyl-2-(2-fluoroanilino)acetonitrile
SMILESN#CC(Nc1ccccc1F)C1CCCC1
InChIInChI=1S/C13H15FN2/c14-11-7-3-4-8-12(11)16-13(9-15)10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6H2
InChIKeyUVTFBNDGTANVIW-UHFFFAOYSA-N
XLogP3.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoanilino)-2-cyclohexylacetonitrile
CID 54886899
N-[cyclohexyl(phenyl)methyl]-2-fluoroaniline
CID 43094793
2-(4-chloroanilino)-2-cyclopentylacetonitrile
CID 62071071
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
CID 63822321
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
2-cyclohexyl-2-(4-methylanilino)acetonitrile
CID 54886450
2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
CID 43580689
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 65434785
2-(4-chloroanilino)-2-cyclopropylacetonitrile
CID 61310144

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile?
The IUPAC name of 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile (CID 62071587) is 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile?
The canonical SMILES for 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile is N#CC(Nc1ccccc1F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile?
The InChIKey is UVTFBNDGTANVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-11-7-3-4-8-12(11)16-13(9-15)10-5-1-2-6-10/h3-4,7-8,10,13,16H,1-2,5-6H2.
What are the key properties of 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile?
2-cyclopentyl-2-(2-fluoroanilino)acetonitrile has a molecular weight of 218.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2-fluoroanilino)acetonitrile is sourced from PubChem (CID 62071587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).