4-fluoro-4,7-dimethylazepine

C8H10FN — CID 178157802

IUPAC4-fluoro-4,7-dimethylazepine
SMILESCC1=NC=CC(C)(F)C=C1
InChIInChI=1S/C8H10FN/c1-7-3-4-8(2,9)5-6-10-7/h3-6H,1-2H3
InChIKeyHOTMKKDYIVYISW-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.26
Rot. Bonds

About 4-fluoro-4,7-dimethylazepine

4-fluoro-4,7-dimethylazepine (PubChem CID 178157802) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 4-fluoro-4,7-dimethylazepine.

Molecular Properties

Compound Name4-fluoro-4,7-dimethylazepine
PubChem CID178157802
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name4-fluoro-4,7-dimethylazepine
SMILESCC1=NC=CC(C)(F)C=C1
InChIInChI=1S/C8H10FN/c1-7-3-4-8(2,9)5-6-10-7/h3-6H,1-2H3
InChIKeyHOTMKKDYIVYISW-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

4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
CID 134172148
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
ethane;(Z)-1,1,1-trifluoro-N-[(Z)-prop-1-enyl]pent-3-en-2-imine
CID 145149525
6-methyl-7-(trifluoromethyl)-4H-azepine
CID 147512449
(Z)-N-ethenyl-1,1,1-trifluoropent-3-en-2-imine
CID 155236673
1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 162620455
(E)-N-ethenyl-3-fluoro-4-methylhex-3-en-2-imine
CID 164152270
6-fluoro-3,7-dimethyl-4H-azepine
CID 166836669
(Z)-N-[(E)-2-fluoroprop-1-enyl]pent-3-en-2-imine
CID 166865280

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4,7-dimethylazepine?
The IUPAC name of 4-fluoro-4,7-dimethylazepine (CID 178157802) is 4-fluoro-4,7-dimethylazepine.
What is the SMILES notation for 4-fluoro-4,7-dimethylazepine?
The canonical SMILES for 4-fluoro-4,7-dimethylazepine is CC1=NC=CC(C)(F)C=C1.
What is the InChIKey of 4-fluoro-4,7-dimethylazepine?
The InChIKey is HOTMKKDYIVYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-7-3-4-8(2,9)5-6-10-7/h3-6H,1-2H3.
What are the key properties of 4-fluoro-4,7-dimethylazepine?
4-fluoro-4,7-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 4-fluoro-4,7-dimethylazepine is sourced from PubChem (CID 178157802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).