3,3-difluoro-1,4-dimethylpiperidine;ethane

C9H19F2N — CID 143933716

IUPAC3,3-difluoro-1,4-dimethylpiperidine;ethane
SMILESCC.CC1CCN(C)CC1(F)F
InChIInChI=1S/C7H13F2N.C2H6/c1-6-3-4-10(2)5-7(6,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyFFKSNZVGQZYDJF-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.62
Rot. Bonds

About 3,3-difluoro-1,4-dimethylpiperidine;ethane

3,3-difluoro-1,4-dimethylpiperidine;ethane (PubChem CID 143933716) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is 3,3-difluoro-1,4-dimethylpiperidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1,4-dimethylpiperidine;ethane
PubChem CID143933716
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC Name3,3-difluoro-1,4-dimethylpiperidine;ethane
SMILESCC.CC1CCN(C)CC1(F)F
InChIInChI=1S/C7H13F2N.C2H6/c1-6-3-4-10(2)5-7(6,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyFFKSNZVGQZYDJF-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1,4-dimethylpiperidine;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-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
CID 170578014
3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine
CID 170642221
3-(3,3-difluoro-4-methylpiperidin-1-yl)propan-1-ol
CID 126787142
6,9-dimethyl-1,4-dioxa-9-azaspiro[4.5]decane
CID 21050567
(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 144948013
3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
CID 178010503
3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
CID 176945899
6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane
CID 177212485

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,4-dimethylpiperidine;ethane?
The IUPAC name of 3,3-difluoro-1,4-dimethylpiperidine;ethane (CID 143933716) is 3,3-difluoro-1,4-dimethylpiperidine;ethane.
What is the SMILES notation for 3,3-difluoro-1,4-dimethylpiperidine;ethane?
The canonical SMILES for 3,3-difluoro-1,4-dimethylpiperidine;ethane is CC.CC1CCN(C)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1,4-dimethylpiperidine;ethane?
The InChIKey is FFKSNZVGQZYDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C2H6/c1-6-3-4-10(2)5-7(6,8)9;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-1,4-dimethylpiperidine;ethane?
3,3-difluoro-1,4-dimethylpiperidine;ethane has a molecular weight of 179.25 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,4-dimethylpiperidine;ethane is sourced from PubChem (CID 143933716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).