2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine

C8H10FN — CID 143169128

IUPAC2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC(F)=C(N)C=CC1
InChIInChI=1S/C8H10FN/c1-6-3-2-4-8(10)7(9)5-6/h2,4-5H,3,10H2,1H3
InChIKeyNUMWOPOEBHZWSF-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.03
Rot. Bonds

About 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine

2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 143169128) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID143169128
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC(F)=C(N)C=CC1
InChIInChI=1S/C8H10FN/c1-6-3-2-4-8(10)7(9)5-6/h2,4-5H,3,10H2,1H3
InChIKeyNUMWOPOEBHZWSF-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-4-methylcyclohepta-1,3,6-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 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine (CID 143169128) is 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine is CC1=CC(F)=C(N)C=CC1.
What is the InChIKey of 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is NUMWOPOEBHZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-3-2-4-8(10)7(9)5-6/h2,4-5H,3,10H2,1H3.
What are the key properties of 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 139.17 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143169128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).