3,3-difluoroazepane;ethane

C8H17F2N — CID 142117389

IUPAC3,3-difluoroazepane;ethane
SMILESCC.FC1(F)CCCCNC1
InChIInChI=1S/C6H11F2N.C2H6/c7-6(8)3-1-2-4-9-5-6;1-2/h9H,1-5H2;1-2H3
InChIKeyVOOHHKWGSICXHN-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.42
Rot. Bonds

About 3,3-difluoroazepane;ethane

3,3-difluoroazepane;ethane (PubChem CID 142117389) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 3,3-difluoroazepane;ethane.

Molecular Properties

Compound Name3,3-difluoroazepane;ethane
PubChem CID142117389
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name3,3-difluoroazepane;ethane
SMILESCC.FC1(F)CCCCNC1
InChIInChI=1S/C6H11F2N.C2H6/c7-6(8)3-1-2-4-9-5-6;1-2/h9H,1-5H2;1-2H3
InChIKeyVOOHHKWGSICXHN-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoroazepane;ethane 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

3,3-difluoroazepane;hydrochloride
CID 118798396
but-2-yne;cyclohexane;3,3-difluoropiperidine
CID 144886146
3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
CID 145216920
(3R)-3-fluoro-3-methylazepane
CID 124708989
3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
CID 174927195
6,6-difluoro-1,4-diazepane;hydrochloride
CID 169219655
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3,3-di(propan-2-yl)azepane
CID 58609824
7-azaspiro[4.6]undecane
CID 75488634
4,4-difluorodiazepane
CID 176727896
3-(difluoromethyl)-3-methylazepane
CID 105432135
2,2-difluoro-6-azaspiro[3.5]nonane;hydrochloride
CID 163197098

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazepane;ethane?
The IUPAC name of 3,3-difluoroazepane;ethane (CID 142117389) is 3,3-difluoroazepane;ethane.
What is the SMILES notation for 3,3-difluoroazepane;ethane?
The canonical SMILES for 3,3-difluoroazepane;ethane is CC.FC1(F)CCCCNC1.
What is the InChIKey of 3,3-difluoroazepane;ethane?
The InChIKey is VOOHHKWGSICXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C2H6/c7-6(8)3-1-2-4-9-5-6;1-2/h9H,1-5H2;1-2H3.
What are the key properties of 3,3-difluoroazepane;ethane?
3,3-difluoroazepane;ethane has a molecular weight of 165.23 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazepane;ethane is sourced from PubChem (CID 142117389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).