3-fluoro-3,5-dimethylazepine

C8H10FN — CID 143462932

IUPAC3-fluoro-3,5-dimethylazepine
SMILESCC1=CC(C)(F)C=NC=C1
InChIInChI=1S/C8H10FN/c1-7-3-4-10-6-8(2,9)5-7/h3-6H,1-2H3
InChIKeyBJKPUFYQFQRFQO-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.26
Rot. Bonds

About 3-fluoro-3,5-dimethylazepine

3-fluoro-3,5-dimethylazepine (PubChem CID 143462932) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 3-fluoro-3,5-dimethylazepine.

Molecular Properties

Compound Name3-fluoro-3,5-dimethylazepine
PubChem CID143462932
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name3-fluoro-3,5-dimethylazepine
SMILESCC1=CC(C)(F)C=NC=C1
InChIInChI=1S/C8H10FN/c1-7-3-4-10-6-8(2,9)5-7/h3-6H,1-2H3
InChIKeyBJKPUFYQFQRFQO-UHFFFAOYSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(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
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
2-fluoro-3-methyl-3H-azepine
CID 134290089
7-fluoro-6-methyl-3H-azepine
CID 135211562
3-(2-Fluoropropan-2-yl)-3-methylazepine
CID 138721121
N-[(1Z,3Z)-2-methylpenta-1,3-dienyl]methanimidoyl fluoride
CID 139386678
5-fluoro-6-methyl-4H-azepine
CID 142010072
N-methyl-1-[5-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]methanimine
CID 142233493

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,5-dimethylazepine?
The IUPAC name of 3-fluoro-3,5-dimethylazepine (CID 143462932) is 3-fluoro-3,5-dimethylazepine.
What is the SMILES notation for 3-fluoro-3,5-dimethylazepine?
The canonical SMILES for 3-fluoro-3,5-dimethylazepine is CC1=CC(C)(F)C=NC=C1.
What is the InChIKey of 3-fluoro-3,5-dimethylazepine?
The InChIKey is BJKPUFYQFQRFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-7-3-4-10-6-8(2,9)5-7/h3-6H,1-2H3.
What are the key properties of 3-fluoro-3,5-dimethylazepine?
3-fluoro-3,5-dimethylazepine has a molecular weight of 139.17 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,5-dimethylazepine is sourced from PubChem (CID 143462932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).