7-fluoro-6-methyl-2H-azepine

C7H8FN — CID 145470140

IUPAC7-fluoro-6-methyl-2H-azepine
SMILESCC1=CC=CCN=C1F
InChIInChI=1S/C7H8FN/c1-6-4-2-3-5-9-7(6)8/h2-4H,5H2,1H3
InChIKeyPBLNOLPIIMVWOA-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.87
Rot. Bonds

About 7-fluoro-6-methyl-2H-azepine

7-fluoro-6-methyl-2H-azepine (PubChem CID 145470140) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 7-fluoro-6-methyl-2H-azepine.

Molecular Properties

Compound Name7-fluoro-6-methyl-2H-azepine
PubChem CID145470140
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name7-fluoro-6-methyl-2H-azepine
SMILESCC1=CC=CCN=C1F
InChIInChI=1S/C7H8FN/c1-6-4-2-3-5-9-7(6)8/h2-4H,5H2,1H3
InChIKeyPBLNOLPIIMVWOA-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

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Related Compounds

(2Z)-N,2-dimethylpenta-2,4-dienimidoyl fluoride
CID 142249090
2-methyl-N-(3-methylbut-2-enyl)prop-2-enimidoyl fluoride
CID 156211276
6-methyl-2H-azepine
CID 137487568

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-2H-azepine?
The IUPAC name of 7-fluoro-6-methyl-2H-azepine (CID 145470140) is 7-fluoro-6-methyl-2H-azepine.
What is the SMILES notation for 7-fluoro-6-methyl-2H-azepine?
The canonical SMILES for 7-fluoro-6-methyl-2H-azepine is CC1=CC=CCN=C1F.
What is the InChIKey of 7-fluoro-6-methyl-2H-azepine?
The InChIKey is PBLNOLPIIMVWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c1-6-4-2-3-5-9-7(6)8/h2-4H,5H2,1H3.
What are the key properties of 7-fluoro-6-methyl-2H-azepine?
7-fluoro-6-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 7-fluoro-6-methyl-2H-azepine is sourced from PubChem (CID 145470140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).