3,3-difluoro-1-methylpiperidine

C6H11F2N — CID 23394528

IUPAC3,3-difluoro-1-methylpiperidine
SMILESCN1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-9-4-2-3-6(7,8)5-9/h2-5H2,1H3
InChIKeyDSRWBPDMEPWZPG-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.35
Rot. Bonds

About 3,3-difluoro-1-methylpiperidine

3,3-difluoro-1-methylpiperidine (PubChem CID 23394528) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 3,3-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-1-methylpiperidine
PubChem CID23394528
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name3,3-difluoro-1-methylpiperidine
SMILESCN1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-9-4-2-3-6(7,8)5-9/h2-5H2,1H3
InChIKeyDSRWBPDMEPWZPG-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1-methylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylpiperidine?
The IUPAC name of 3,3-difluoro-1-methylpiperidine (CID 23394528) is 3,3-difluoro-1-methylpiperidine.
What is the SMILES notation for 3,3-difluoro-1-methylpiperidine?
The canonical SMILES for 3,3-difluoro-1-methylpiperidine is CN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylpiperidine?
The InChIKey is DSRWBPDMEPWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-9-4-2-3-6(7,8)5-9/h2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-methylpiperidine?
3,3-difluoro-1-methylpiperidine has a molecular weight of 135.16 g/mol, XLogP of 1.35, 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 is sourced from PubChem (CID 23394528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).