3-(difluoromethyl)-4-ethylpiperidine

C8H15F2N — CID 105432137

IUPAC3-(difluoromethyl)-4-ethylpiperidine
SMILESCCC1CCNCC1C(F)F
InChIInChI=1S/C8H15F2N/c1-2-6-3-4-11-5-7(6)8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyMGBXDHCQPDINIJ-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.89
Rot. Bonds2

About 3-(difluoromethyl)-4-ethylpiperidine

3-(difluoromethyl)-4-ethylpiperidine (PubChem CID 105432137) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-ethylpiperidine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-ethylpiperidine
PubChem CID105432137
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3-(difluoromethyl)-4-ethylpiperidine
SMILESCCC1CCNCC1C(F)F
InChIInChI=1S/C8H15F2N/c1-2-6-3-4-11-5-7(6)8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyMGBXDHCQPDINIJ-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(difluoromethyl)-4-ethylpiperidine 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)-4-ethylpiperidine?
The IUPAC name of 3-(difluoromethyl)-4-ethylpiperidine (CID 105432137) is 3-(difluoromethyl)-4-ethylpiperidine.
What is the SMILES notation for 3-(difluoromethyl)-4-ethylpiperidine?
The canonical SMILES for 3-(difluoromethyl)-4-ethylpiperidine is CCC1CCNCC1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-ethylpiperidine?
The InChIKey is MGBXDHCQPDINIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-2-6-3-4-11-5-7(6)8(9)10/h6-8,11H,2-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-ethylpiperidine?
3-(difluoromethyl)-4-ethylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-ethylpiperidine is sourced from PubChem (CID 105432137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).