1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile

C12H13FN2 — CID 83986149

IUPAC1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H13FN2/c13-12-3-1-10(2-4-12)8-15-6-5-11(7-14)9-15/h1-4,11H,5-6,8-9H2
InChIKeyTVVPFRHBBKJAQF-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.17
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile

1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile (PubChem CID 83986149) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
PubChem CID83986149
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H13FN2/c13-12-3-1-10(2-4-12)8-15-6-5-11(7-14)9-15/h1-4,11H,5-6,8-9H2
InChIKeyTVVPFRHBBKJAQF-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methyl]pyrrolidine-3-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

1-[(4-chlorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83980776
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-trimethylsilylphenyl)methyl]piperidine-4-carbonitrile
CID 100718936
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 113256160
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile (CID 83986149) is 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile is N#CC1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile?
The InChIKey is TVVPFRHBBKJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-12-3-1-10(2-4-12)8-15-6-5-11(7-14)9-15/h1-4,11H,5-6,8-9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile?
1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 83986149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).