(2S)-2-(4-fluorophenyl)pent-4-enenitrile

C11H10FN — CID 101191860

IUPAC(2S)-2-(4-fluorophenyl)pent-4-enenitrile
SMILESC=CC[C@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C11H10FN/c1-2-3-10(8-13)9-4-6-11(12)7-5-9/h2,4-7,10H,1,3H2/t10-/m1/s1
InChIKeyRKNNFPOOCXUHFC-SNVBAGLBSA-N
MW175.21 g/mol
LogP3.01
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)pent-4-enenitrile

(2S)-2-(4-fluorophenyl)pent-4-enenitrile (PubChem CID 101191860) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)pent-4-enenitrile.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)pent-4-enenitrile
PubChem CID101191860
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name(2S)-2-(4-fluorophenyl)pent-4-enenitrile
SMILESC=CC[C@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C11H10FN/c1-2-3-10(8-13)9-4-6-11(12)7-5-9/h2,4-7,10H,1,3H2/t10-/m1/s1
InChIKeyRKNNFPOOCXUHFC-SNVBAGLBSA-N
XLogP3.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-(4-fluorophenyl)pent-4-enenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)pent-4-enenitrile?
The IUPAC name of (2S)-2-(4-fluorophenyl)pent-4-enenitrile (CID 101191860) is (2S)-2-(4-fluorophenyl)pent-4-enenitrile.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)pent-4-enenitrile?
The canonical SMILES for (2S)-2-(4-fluorophenyl)pent-4-enenitrile is C=CC[C@H](C#N)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)pent-4-enenitrile?
The InChIKey is RKNNFPOOCXUHFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10FN/c1-2-3-10(8-13)9-4-6-11(12)7-5-9/h2,4-7,10H,1,3H2/t10-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)pent-4-enenitrile?
(2S)-2-(4-fluorophenyl)pent-4-enenitrile has a molecular weight of 175.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)pent-4-enenitrile is sourced from PubChem (CID 101191860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).