(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile

C7H8FN — CID 146551316

IUPAC(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile
SMILESC/C=C\C=C(\C#N)CF
InChIInChI=1S/C7H8FN/c1-2-3-4-7(5-8)6-9/h2-4H,5H2,1H3/b3-2-,7-4+
InChIKeyXIXDVPOBHHAEHF-UDJLOATDSA-N
MW125.15 g/mol
LogP1.98
Rot. Bonds2

About (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile

(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile (PubChem CID 146551316) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile
PubChem CID146551316
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile
SMILESC/C=C\C=C(\C#N)CF
InChIInChI=1S/C7H8FN/c1-2-3-4-7(5-8)6-9/h2-4H,5H2,1H3/b3-2-,7-4+
InChIKeyXIXDVPOBHHAEHF-UDJLOATDSA-N
XLogP1.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile 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 (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile?
The IUPAC name of (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile (CID 146551316) is (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile.
What is the SMILES notation for (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile?
The canonical SMILES for (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile is C/C=C\C=C(\C#N)CF.
What is the InChIKey of (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile?
The InChIKey is XIXDVPOBHHAEHF-UDJLOATDSA-N. The full InChI is InChI=1S/C7H8FN/c1-2-3-4-7(5-8)6-9/h2-4H,5H2,1H3/b3-2-,7-4+.
What are the key properties of (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile?
(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile has a molecular weight of 125.15 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile is sourced from PubChem (CID 146551316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).