6-methyl-7-(trifluoromethyl)-4H-azepine

C8H8F3N — CID 147512449

IUPAC6-methyl-7-(trifluoromethyl)-4H-azepine
SMILESCC1=CCC=CN=C1C(F)(F)F
InChIInChI=1S/C8H8F3N/c1-6-4-2-3-5-12-7(6)8(9,10)11/h3-5H,2H2,1H3
InChIKeyFJOLGSJZZIYSQA-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.85
Rot. Bonds

About 6-methyl-7-(trifluoromethyl)-4H-azepine

6-methyl-7-(trifluoromethyl)-4H-azepine (PubChem CID 147512449) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 6-methyl-7-(trifluoromethyl)-4H-azepine.

Molecular Properties

Compound Name6-methyl-7-(trifluoromethyl)-4H-azepine
PubChem CID147512449
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name6-methyl-7-(trifluoromethyl)-4H-azepine
SMILESCC1=CCC=CN=C1C(F)(F)F
InChIInChI=1S/C8H8F3N/c1-6-4-2-3-5-12-7(6)8(9,10)11/h3-5H,2H2,1H3
InChIKeyFJOLGSJZZIYSQA-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-Difluoro-1-benzazepine
CID 70291399
(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
7-fluoro-6-propan-2-yl-4H-azepine
CID 129194067
3-methyl-6-(trifluoromethyl)-4H-azepine
CID 138629228
N-[(Z)-pent-2-en-3-yl]-2-(trifluoromethyl)prop-2-en-1-imine
CID 142010061
3-methyl-7-(trifluoromethyl)-4H-azepine
CID 142851450
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
ethane;N-ethenyl-1,1,1-trifluoro-3-methylbut-3-en-2-imine
CID 144349641

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(trifluoromethyl)-4H-azepine?
The IUPAC name of 6-methyl-7-(trifluoromethyl)-4H-azepine (CID 147512449) is 6-methyl-7-(trifluoromethyl)-4H-azepine.
What is the SMILES notation for 6-methyl-7-(trifluoromethyl)-4H-azepine?
The canonical SMILES for 6-methyl-7-(trifluoromethyl)-4H-azepine is CC1=CCC=CN=C1C(F)(F)F.
What is the InChIKey of 6-methyl-7-(trifluoromethyl)-4H-azepine?
The InChIKey is FJOLGSJZZIYSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-6-4-2-3-5-12-7(6)8(9,10)11/h3-5H,2H2,1H3.
What are the key properties of 6-methyl-7-(trifluoromethyl)-4H-azepine?
6-methyl-7-(trifluoromethyl)-4H-azepine has a molecular weight of 175.15 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(trifluoromethyl)-4H-azepine is sourced from PubChem (CID 147512449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).