5-fluoro-2-methylidenehexa-3,5-dien-1-amine

C7H10FN — CID 123720519

IUPAC5-fluoro-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(F)C=CC(=C)CN
InChIInChI=1S/C7H10FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2,5,9H2
InChIKeyNBEIULCICIUXBM-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.54
Rot. Bonds3

About 5-fluoro-2-methylidenehexa-3,5-dien-1-amine

5-fluoro-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 123720519) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-fluoro-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-2-methylidenehexa-3,5-dien-1-amine
PubChem CID123720519
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-fluoro-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(F)C=CC(=C)CN
InChIInChI=1S/C7H10FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2,5,9H2
InChIKeyNBEIULCICIUXBM-UHFFFAOYSA-N
XLogP1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-methylidenehexa-3,5-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 5-fluoro-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of 5-fluoro-2-methylidenehexa-3,5-dien-1-amine (CID 123720519) is 5-fluoro-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for 5-fluoro-2-methylidenehexa-3,5-dien-1-amine is C=C(F)C=CC(=C)CN.
What is the InChIKey of 5-fluoro-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is NBEIULCICIUXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-6(5-9)3-4-7(2)8/h3-4H,1-2,5,9H2.
What are the key properties of 5-fluoro-2-methylidenehexa-3,5-dien-1-amine?
5-fluoro-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 123720519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).