(1E,3Z)-2-fluorohexa-1,3-dien-1-amine

C6H10FN — CID 163449845

IUPAC(1E,3Z)-2-fluorohexa-1,3-dien-1-amine
SMILESCC/C=C\C(F)=C/N
InChIInChI=1S/C6H10FN/c1-2-3-4-6(7)5-8/h3-5H,2,8H2,1H3/b4-3-,6-5+
InChIKeyBFRHLGBZPKDCFP-DNVGVPOPSA-N
MW115.15 g/mol
LogP1.72
Rot. Bonds2

About (1E,3Z)-2-fluorohexa-1,3-dien-1-amine

(1E,3Z)-2-fluorohexa-1,3-dien-1-amine (PubChem CID 163449845) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (1E,3Z)-2-fluorohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-fluorohexa-1,3-dien-1-amine
PubChem CID163449845
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(1E,3Z)-2-fluorohexa-1,3-dien-1-amine
SMILESCC/C=C\C(F)=C/N
InChIInChI=1S/C6H10FN/c1-2-3-4-6(7)5-8/h3-5H,2,8H2,1H3/b4-3-,6-5+
InChIKeyBFRHLGBZPKDCFP-DNVGVPOPSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-fluorohexa-1,3-dien-1-amine 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 (1E,3Z)-2-fluorohexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-fluorohexa-1,3-dien-1-amine (CID 163449845) is (1E,3Z)-2-fluorohexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-fluorohexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-fluorohexa-1,3-dien-1-amine is CC/C=C\C(F)=C/N.
What is the InChIKey of (1E,3Z)-2-fluorohexa-1,3-dien-1-amine?
The InChIKey is BFRHLGBZPKDCFP-DNVGVPOPSA-N. The full InChI is InChI=1S/C6H10FN/c1-2-3-4-6(7)5-8/h3-5H,2,8H2,1H3/b4-3-,6-5+.
What are the key properties of (1E,3Z)-2-fluorohexa-1,3-dien-1-amine?
(1E,3Z)-2-fluorohexa-1,3-dien-1-amine has a molecular weight of 115.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-fluorohexa-1,3-dien-1-amine is sourced from PubChem (CID 163449845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).