1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine

C17H18F15NO — CID 130427269

IUPAC1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C17H18F15NO/c18-11(17(30,31)32)13(20,21)9-2-1-3-10(34-9)14(22,23)12(19)33-5-7(15(24,25)26)4-8(6-33)16(27,28)29/h7-12H,1-6H2
InChIKeyGLKPDZZUJOLZMR-UHFFFAOYSA-N
MW537.31 g/mol
LogP6.45
Rot. Bonds5

About 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine

1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 130427269) has the molecular formula C17H18F15NO and a molecular weight of 537.31 g/mol. Its IUPAC name is 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID130427269
Molecular FormulaC17H18F15NO
Molecular Weight537.31 g/mol
Exact Mass537.11
IUPAC Name1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C17H18F15NO/c18-11(17(30,31)32)13(20,21)9-2-1-3-10(34-9)14(22,23)12(19)33-5-7(15(24,25)26)4-8(6-33)16(27,28)29/h7-12H,1-6H2
InChIKeyGLKPDZZUJOLZMR-UHFFFAOYSA-N
XLogP6.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.31
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)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-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine (CID 130427269) is 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine is FC(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)C1CCCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is GLKPDZZUJOLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F15NO/c18-11(17(30,31)32)13(20,21)9-2-1-3-10(34-9)14(22,23)12(19)33-5-7(15(24,25)26)4-8(6-33)16(27,28)29/h7-12H,1-6H2.
What are the key properties of 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine?
1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 537.31 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 130427269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).