6-fluoro-3,7-dimethyl-4H-azepine

C8H10FN — CID 166836669

IUPAC6-fluoro-3,7-dimethyl-4H-azepine
SMILESCC1=CN=C(C)C(F)=CC1
InChIInChI=1S/C8H10FN/c1-6-3-4-8(9)7(2)10-5-6/h4-5H,3H2,1-2H3
InChIKeyZPTWUFWIXSFWMV-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.61
Rot. Bonds

About 6-fluoro-3,7-dimethyl-4H-azepine

6-fluoro-3,7-dimethyl-4H-azepine (PubChem CID 166836669) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 6-fluoro-3,7-dimethyl-4H-azepine.

Molecular Properties

Compound Name6-fluoro-3,7-dimethyl-4H-azepine
PubChem CID166836669
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name6-fluoro-3,7-dimethyl-4H-azepine
SMILESCC1=CN=C(C)C(F)=CC1
InChIInChI=1S/C8H10FN/c1-6-3-4-8(9)7(2)10-5-6/h4-5H,3H2,1-2H3
InChIKeyZPTWUFWIXSFWMV-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(fluoromethyl)-5-methyl-4H-azepin-3-amine
CID 89142766
3-propan-2-yl-7-(trifluoromethyl)-4H-azepine
CID 90882163
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N-[(1Z,3E,5E)-7-fluoro-4,5-dimethyl-2-prop-1-en-2-ylnona-1,3,5,7-tetraenyl]propan-2-imine
CID 123854580
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 135292598
1,1,1-trifluoro-4-methyl-N-propylpent-3-en-2-imine
CID 138509578
7-fluoro-3-methyl-4H-azepine
CID 139386731
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,7-dimethyl-4H-azepine?
The IUPAC name of 6-fluoro-3,7-dimethyl-4H-azepine (CID 166836669) is 6-fluoro-3,7-dimethyl-4H-azepine.
What is the SMILES notation for 6-fluoro-3,7-dimethyl-4H-azepine?
The canonical SMILES for 6-fluoro-3,7-dimethyl-4H-azepine is CC1=CN=C(C)C(F)=CC1.
What is the InChIKey of 6-fluoro-3,7-dimethyl-4H-azepine?
The InChIKey is ZPTWUFWIXSFWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-3-4-8(9)7(2)10-5-6/h4-5H,3H2,1-2H3.
What are the key properties of 6-fluoro-3,7-dimethyl-4H-azepine?
6-fluoro-3,7-dimethyl-4H-azepine has a molecular weight of 139.17 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,7-dimethyl-4H-azepine is sourced from PubChem (CID 166836669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).