4-(3,3,3-trifluoro-2-methylpropoxy)piperidine

C9H16F3NO — CID 129278144

IUPAC4-(3,3,3-trifluoro-2-methylpropoxy)piperidine
SMILESCC(COC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(9(10,11)12)6-14-8-2-4-13-5-3-8/h7-8,13H,2-6H2,1H3
InChIKeyZZEWZYNPKYEYQR-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds3

About 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine

4-(3,3,3-trifluoro-2-methylpropoxy)piperidine (PubChem CID 129278144) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine.

Molecular Properties

Compound Name4-(3,3,3-trifluoro-2-methylpropoxy)piperidine
PubChem CID129278144
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(3,3,3-trifluoro-2-methylpropoxy)piperidine
SMILESCC(COC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(9(10,11)12)6-14-8-2-4-13-5-3-8/h7-8,13H,2-6H2,1H3
InChIKeyZZEWZYNPKYEYQR-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine 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 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine?
The IUPAC name of 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine (CID 129278144) is 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine.
What is the SMILES notation for 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine?
The canonical SMILES for 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine is CC(COC1CCNCC1)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine?
The InChIKey is ZZEWZYNPKYEYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(9(10,11)12)6-14-8-2-4-13-5-3-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine?
4-(3,3,3-trifluoro-2-methylpropoxy)piperidine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoro-2-methylpropoxy)piperidine is sourced from PubChem (CID 129278144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).