1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine

C10H18F3NO — CID 59204085

IUPAC1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
SMILESCC(OCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(10(11,12)13)15-8-7-14-5-3-2-4-6-14/h9H,2-8H2,1H3
InChIKeyZACJFWRETNUMIS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine

1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine (PubChem CID 59204085) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
PubChem CID59204085
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
SMILESCC(OCCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(10(11,12)13)15-8-7-14-5-3-2-4-6-14/h9H,2-8H2,1H3
InChIKeyZACJFWRETNUMIS-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]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 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
The IUPAC name of 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine (CID 59204085) is 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine is CC(OCCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
The InChIKey is ZACJFWRETNUMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(10(11,12)13)15-8-7-14-5-3-2-4-6-14/h9H,2-8H2,1H3.
What are the key properties of 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine?
1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine is sourced from PubChem (CID 59204085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).