4-fluoro-7-methyl-2H-azepine

C7H8FN — CID 131982638

IUPAC4-fluoro-7-methyl-2H-azepine
SMILESCC1=NCC=C(F)C=C1
InChIInChI=1S/C7H8FN/c1-6-2-3-7(8)4-5-9-6/h2-4H,5H2,1H3
InChIKeyDMUCPRZHINIXOK-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.87
Rot. Bonds

About 4-fluoro-7-methyl-2H-azepine

4-fluoro-7-methyl-2H-azepine (PubChem CID 131982638) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 4-fluoro-7-methyl-2H-azepine.

Molecular Properties

Compound Name4-fluoro-7-methyl-2H-azepine
PubChem CID131982638
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name4-fluoro-7-methyl-2H-azepine
SMILESCC1=NCC=C(F)C=C1
InChIInChI=1S/C7H8FN/c1-6-2-3-7(8)4-5-9-6/h2-4H,5H2,1H3
InChIKeyDMUCPRZHINIXOK-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-2H-azepine?
The IUPAC name of 4-fluoro-7-methyl-2H-azepine (CID 131982638) is 4-fluoro-7-methyl-2H-azepine.
What is the SMILES notation for 4-fluoro-7-methyl-2H-azepine?
The canonical SMILES for 4-fluoro-7-methyl-2H-azepine is CC1=NCC=C(F)C=C1.
What is the InChIKey of 4-fluoro-7-methyl-2H-azepine?
The InChIKey is DMUCPRZHINIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c1-6-2-3-7(8)4-5-9-6/h2-4H,5H2,1H3.
What are the key properties of 4-fluoro-7-methyl-2H-azepine?
4-fluoro-7-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 4-fluoro-7-methyl-2H-azepine is sourced from PubChem (CID 131982638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).