1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine

C16H20F11NO — CID 130427294

IUPAC1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N2CCCCC2)C(F)(F)F)O1
InChIInChI=1S/C16H20F11NO/c17-11(15(22,23)24)13(18,19)9-5-4-6-10(29-9)14(20,21)12(16(25,26)27)28-7-2-1-3-8-28/h9-12H,1-8H2
InChIKeyHGSQHHRWOKYUEC-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.51
Rot. Bonds5

About 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine

1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine (PubChem CID 130427294) has the molecular formula C16H20F11NO and a molecular weight of 451.32 g/mol. Its IUPAC name is 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine
PubChem CID130427294
Molecular FormulaC16H20F11NO
Molecular Weight451.32 g/mol
Exact Mass451.14
IUPAC Name1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N2CCCCC2)C(F)(F)F)O1
InChIInChI=1S/C16H20F11NO/c17-11(15(22,23)24)13(18,19)9-5-4-6-10(29-9)14(20,21)12(16(25,26)27)28-7-2-1-3-8-28/h9-12H,1-8H2
InChIKeyHGSQHHRWOKYUEC-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]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-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine (CID 130427294) is 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine is FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N2CCCCC2)C(F)(F)F)O1.
What is the InChIKey of 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine?
The InChIKey is HGSQHHRWOKYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F11NO/c17-11(15(22,23)24)13(18,19)9-5-4-6-10(29-9)14(20,21)12(16(25,26)27)28-7-2-1-3-8-28/h9-12H,1-8H2.
What are the key properties of 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine?
1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine has a molecular weight of 451.32 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]piperidine is sourced from PubChem (CID 130427294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).