3-(difluoromethyl)-3,4,4-trifluoropiperidine

C6H8F5N — CID 84770912

IUPAC3-(difluoromethyl)-3,4,4-trifluoropiperidine
SMILESFC(F)C1(F)CNCCC1(F)F
InChIInChI=1S/C6H8F5N/c7-4(8)5(9)3-12-2-1-6(5,10)11/h4,12H,1-3H2
InChIKeyHZHYAVXUUMZTCW-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.59
Rot. Bonds1

About 3-(difluoromethyl)-3,4,4-trifluoropiperidine

3-(difluoromethyl)-3,4,4-trifluoropiperidine (PubChem CID 84770912) has the molecular formula C6H8F5N and a molecular weight of 189.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-3,4,4-trifluoropiperidine.

Molecular Properties

Compound Name3-(difluoromethyl)-3,4,4-trifluoropiperidine
PubChem CID84770912
Molecular FormulaC6H8F5N
Molecular Weight189.13 g/mol
Exact Mass189.06
IUPAC Name3-(difluoromethyl)-3,4,4-trifluoropiperidine
SMILESFC(F)C1(F)CNCCC1(F)F
InChIInChI=1S/C6H8F5N/c7-4(8)5(9)3-12-2-1-6(5,10)11/h4,12H,1-3H2
InChIKeyHZHYAVXUUMZTCW-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(difluoromethyl)-3,4,4-trifluoropiperidine 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-(difluoromethyl)-3,4,4-trifluoropiperidine?
The IUPAC name of 3-(difluoromethyl)-3,4,4-trifluoropiperidine (CID 84770912) is 3-(difluoromethyl)-3,4,4-trifluoropiperidine.
What is the SMILES notation for 3-(difluoromethyl)-3,4,4-trifluoropiperidine?
The canonical SMILES for 3-(difluoromethyl)-3,4,4-trifluoropiperidine is FC(F)C1(F)CNCCC1(F)F.
What is the InChIKey of 3-(difluoromethyl)-3,4,4-trifluoropiperidine?
The InChIKey is HZHYAVXUUMZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5N/c7-4(8)5(9)3-12-2-1-6(5,10)11/h4,12H,1-3H2.
What are the key properties of 3-(difluoromethyl)-3,4,4-trifluoropiperidine?
3-(difluoromethyl)-3,4,4-trifluoropiperidine has a molecular weight of 189.13 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3,4,4-trifluoropiperidine is sourced from PubChem (CID 84770912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).