5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine

C8H10FN — CID 129018806

IUPAC5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CCC=C(F)C=C1
InChIInChI=1S/C8H10FN/c1-10-8-4-2-3-7(9)5-6-8/h3-6,10H,2H2,1H3
InChIKeySPWIXSGPCAPYLA-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.90
Rot. Bonds1

About 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine

5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine (PubChem CID 129018806) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
PubChem CID129018806
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CCC=C(F)C=C1
InChIInChI=1S/C8H10FN/c1-10-8-4-2-3-7(9)5-6-8/h3-6,10H,2H2,1H3
InChIKeySPWIXSGPCAPYLA-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-N-methylcyclohepta-1,4,6-trien-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-N-methylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine (CID 129018806) is 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine is CNC1=CCC=C(F)C=C1.
What is the InChIKey of 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is SPWIXSGPCAPYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-10-8-4-2-3-7(9)5-6-8/h3-6,10H,2H2,1H3.
What are the key properties of 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine?
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 139.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 129018806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).