2-fluoro-4-methyl-2H-azepine

C7H8FN — CID 143142141

IUPAC2-fluoro-4-methyl-2H-azepine
SMILESCC1=CC(F)N=CC=C1
InChIInChI=1S/C7H8FN/c1-6-3-2-4-9-7(8)5-6/h2-5,7H,1H3
InChIKeyRCBBHBZIVMHAGF-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.87
Rot. Bonds

About 2-fluoro-4-methyl-2H-azepine

2-fluoro-4-methyl-2H-azepine (PubChem CID 143142141) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 2-fluoro-4-methyl-2H-azepine.

Molecular Properties

Compound Name2-fluoro-4-methyl-2H-azepine
PubChem CID143142141
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name2-fluoro-4-methyl-2H-azepine
SMILESCC1=CC(F)N=CC=C1
InChIInChI=1S/C7H8FN/c1-6-3-2-4-9-7(8)5-6/h2-5,7H,1H3
InChIKeyRCBBHBZIVMHAGF-UHFFFAOYSA-N
XLogP1.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-4-methyl-2H-azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylenepyridine
CID 59803326
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 130413066
4-fluoro-7-methyl-2H-azepine
CID 131982638
7-fluoro-6-methyl-3H-azepine
CID 135211562

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-2H-azepine?
The IUPAC name of 2-fluoro-4-methyl-2H-azepine (CID 143142141) is 2-fluoro-4-methyl-2H-azepine.
What is the SMILES notation for 2-fluoro-4-methyl-2H-azepine?
The canonical SMILES for 2-fluoro-4-methyl-2H-azepine is CC1=CC(F)N=CC=C1.
What is the InChIKey of 2-fluoro-4-methyl-2H-azepine?
The InChIKey is RCBBHBZIVMHAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c1-6-3-2-4-9-7(8)5-6/h2-5,7H,1H3.
What are the key properties of 2-fluoro-4-methyl-2H-azepine?
2-fluoro-4-methyl-2H-azepine has a molecular weight of 125.15 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-2H-azepine is sourced from PubChem (CID 143142141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).