3,3-difluoro-1-methylpiperidine;ethane

C8H17F2N — CID 143170992

IUPAC3,3-difluoro-1-methylpiperidine;ethane
SMILESCC.CN1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N.C2H6/c1-9-4-2-3-6(7,8)5-9;1-2/h2-5H2,1H3;1-2H3
InChIKeyMAXSSXPMULRUPH-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.37
Rot. Bonds

About 3,3-difluoro-1-methylpiperidine;ethane

3,3-difluoro-1-methylpiperidine;ethane (PubChem CID 143170992) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpiperidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-methylpiperidine;ethane
PubChem CID143170992
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name3,3-difluoro-1-methylpiperidine;ethane
SMILESCC.CN1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N.C2H6/c1-9-4-2-3-6(7,8)5-9;1-2/h2-5H2,1H3;1-2H3
InChIKeyMAXSSXPMULRUPH-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1-methylpiperidine;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-difluoro-1-methylpyrrolidine;propane
CID 143065590
1,8-dimethyl-1,8-diazaspiro[3.5]nonane;ethane
CID 156736334
3,3-difluoro-1-iodopiperidine
CID 121306760
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299
ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 154672647
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
ethane;8-methyl-2,8-diazaspiro[3.5]nonan-2-amine
CID 169133295
3-(fluoromethyl)-1-methylpiperidin-3-amine
CID 84762965
ethane;9-methyl-1,9-diazaspiro[4.5]decane
CID 166075508
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine
CID 155238211

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpiperidine;ethane?
The IUPAC name of 3,3-difluoro-1-methylpiperidine;ethane (CID 143170992) is 3,3-difluoro-1-methylpiperidine;ethane.
What is the SMILES notation for 3,3-difluoro-1-methylpiperidine;ethane?
The canonical SMILES for 3,3-difluoro-1-methylpiperidine;ethane is CC.CN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpiperidine;ethane?
The InChIKey is MAXSSXPMULRUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C2H6/c1-9-4-2-3-6(7,8)5-9;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-methylpiperidine;ethane?
3,3-difluoro-1-methylpiperidine;ethane has a molecular weight of 165.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylpiperidine;ethane is sourced from PubChem (CID 143170992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).