(E)-4-fluoropent-2-enenitrile

C5H6FN — CID 10606704

IUPAC(E)-4-fluoropent-2-enenitrile
SMILESCC(F)/C=C/C#N
InChIInChI=1S/C5H6FN/c1-5(6)3-2-4-7/h2-3,5H,1H3/b3-2+
InChIKeyDPAGHAXKVYEVEQ-NSCUHMNNSA-N
MW99.11 g/mol
LogP1.42
Rot. Bonds1

About (E)-4-fluoropent-2-enenitrile

(E)-4-fluoropent-2-enenitrile (PubChem CID 10606704) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is (E)-4-fluoropent-2-enenitrile.

Molecular Properties

Compound Name(E)-4-fluoropent-2-enenitrile
PubChem CID10606704
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name(E)-4-fluoropent-2-enenitrile
SMILESCC(F)/C=C/C#N
InChIInChI=1S/C5H6FN/c1-5(6)3-2-4-7/h2-3,5H,1H3/b3-2+
InChIKeyDPAGHAXKVYEVEQ-NSCUHMNNSA-N
XLogP1.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4-fluoropent-2-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 (E)-4-fluoropent-2-enenitrile?
The IUPAC name of (E)-4-fluoropent-2-enenitrile (CID 10606704) is (E)-4-fluoropent-2-enenitrile.
What is the SMILES notation for (E)-4-fluoropent-2-enenitrile?
The canonical SMILES for (E)-4-fluoropent-2-enenitrile is CC(F)/C=C/C#N.
What is the InChIKey of (E)-4-fluoropent-2-enenitrile?
The InChIKey is DPAGHAXKVYEVEQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H6FN/c1-5(6)3-2-4-7/h2-3,5H,1H3/b3-2+.
What are the key properties of (E)-4-fluoropent-2-enenitrile?
(E)-4-fluoropent-2-enenitrile has a molecular weight of 99.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoropent-2-enenitrile is sourced from PubChem (CID 10606704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).