2-(difluoromethyl)-1-methylazepane

C8H15F2N — CID 123397217

IUPAC2-(difluoromethyl)-1-methylazepane
SMILESCN1CCCCCC1C(F)F
InChIInChI=1S/C8H15F2N/c1-11-6-4-2-3-5-7(11)8(9)10/h7-8H,2-6H2,1H3
InChIKeyFXXVNGGJZWHZLH-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.13
Rot. Bonds1

About 2-(difluoromethyl)-1-methylazepane

2-(difluoromethyl)-1-methylazepane (PubChem CID 123397217) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-methylazepane.

Molecular Properties

Compound Name2-(difluoromethyl)-1-methylazepane
PubChem CID123397217
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name2-(difluoromethyl)-1-methylazepane
SMILESCN1CCCCCC1C(F)F
InChIInChI=1S/C8H15F2N/c1-11-6-4-2-3-5-7(11)8(9)10/h7-8H,2-6H2,1H3
InChIKeyFXXVNGGJZWHZLH-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-1-methylazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(2-methylpentan-3-yl)piperidine
CID 167033020
(2S)-2-[(2R)-but-3-en-2-yl]-1-methylpiperidine
CID 102326183
2-fluoro-2-(1-methylpyrrolidin-2-yl)ethanol
CID 105429072
1,2-dimethyl-azacyclotetradecane
CID 70834681
1,2-dimethyl-azacyclododecane
CID 70316000
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
CID 59120846
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
[(2S)-1-methylpiperidin-2-yl]-phenylmethanol
CID 67164631
1,2,3-trimethylazocane
CID 58293714
ethane;(2S)-2-(2-fluoro-1-methoxyethyl)-1-methylpyrrolidine
CID 168995701
ethane;1-methylpiperidine;bis(2-methylpropane);1-methyl-2-propan-2-ylpyrrolidine;1-methylpyrrolidine;1-propan-2-ylpiperidine
CID 160904536

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-methylazepane?
The IUPAC name of 2-(difluoromethyl)-1-methylazepane (CID 123397217) is 2-(difluoromethyl)-1-methylazepane.
What is the SMILES notation for 2-(difluoromethyl)-1-methylazepane?
The canonical SMILES for 2-(difluoromethyl)-1-methylazepane is CN1CCCCCC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-methylazepane?
The InChIKey is FXXVNGGJZWHZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-11-6-4-2-3-5-7(11)8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 2-(difluoromethyl)-1-methylazepane?
2-(difluoromethyl)-1-methylazepane has a molecular weight of 163.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-methylazepane is sourced from PubChem (CID 123397217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).