2-fluoro-6-methylcyclohexa-2,4-dien-1-amine

C7H10FN — CID 155394164

IUPAC2-fluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=C(F)C1N
InChIInChI=1S/C7H10FN/c1-5-3-2-4-6(8)7(5)9/h2-5,7H,9H2,1H3
InChIKeyMDKHBSWLQKVCMQ-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.37
Rot. Bonds

About 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine

2-fluoro-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 155394164) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID155394164
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-fluoro-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC=C(F)C1N
InChIInChI=1S/C7H10FN/c1-5-3-2-4-6(8)7(5)9/h2-5,7H,9H2,1H3
InChIKeyMDKHBSWLQKVCMQ-UHFFFAOYSA-N
XLogP1.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-6-methylcyclohexa-2,4-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 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine (CID 155394164) is 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine is CC1C=CC=C(F)C1N.
What is the InChIKey of 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is MDKHBSWLQKVCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-2-4-6(8)7(5)9/h2-5,7H,9H2,1H3.
What are the key properties of 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine?
2-fluoro-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 127.16 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 155394164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).