5-fluoro-6-methyl-4H-azepine

C7H8FN — CID 142010072

IUPAC5-fluoro-6-methyl-4H-azepine
SMILESCC1=C(F)CC=CN=C1
InChIInChI=1S/C7H8FN/c1-6-5-9-4-2-3-7(6)8/h2,4-5H,3H2,1H3
InChIKeyIKJKRZWGKVOQKA-UHFFFAOYSA-N
MW125.15 g/mol
LogP2.22
Rot. Bonds

About 5-fluoro-6-methyl-4H-azepine

5-fluoro-6-methyl-4H-azepine (PubChem CID 142010072) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 5-fluoro-6-methyl-4H-azepine.

Molecular Properties

Compound Name5-fluoro-6-methyl-4H-azepine
PubChem CID142010072
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name5-fluoro-6-methyl-4H-azepine
SMILESCC1=C(F)CC=CN=C1
InChIInChI=1S/C7H8FN/c1-6-5-9-4-2-3-7(6)8/h2,4-5H,3H2,1H3
InChIKeyIKJKRZWGKVOQKA-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
7-fluoro-6-propan-2-yl-4H-azepine
CID 129194067
7-fluoro-6-methyl-3H-azepine
CID 135211562
3-methyl-6-(trifluoromethyl)-4H-azepine
CID 138629228
7-fluoro-3-methyl-4H-azepine
CID 139386731
(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 142010094
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
3-Fluoro-3,5-dimethylazepine
CID 143462932
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
5-Fluoro-3,3-dimethylazepine
CID 143657985

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-4H-azepine?
The IUPAC name of 5-fluoro-6-methyl-4H-azepine (CID 142010072) is 5-fluoro-6-methyl-4H-azepine.
What is the SMILES notation for 5-fluoro-6-methyl-4H-azepine?
The canonical SMILES for 5-fluoro-6-methyl-4H-azepine is CC1=C(F)CC=CN=C1.
What is the InChIKey of 5-fluoro-6-methyl-4H-azepine?
The InChIKey is IKJKRZWGKVOQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c1-6-5-9-4-2-3-7(6)8/h2,4-5H,3H2,1H3.
What are the key properties of 5-fluoro-6-methyl-4H-azepine?
5-fluoro-6-methyl-4H-azepine has a molecular weight of 125.15 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-4H-azepine is sourced from PubChem (CID 142010072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).