1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine

C17H19F14NO — CID 130427267

IUPAC1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCC(C(F)(F)F)CC2)C(F)(F)F)O1
InChIInChI=1S/C17H19F14NO/c18-11(16(26,27)28)14(21,22)10-3-1-2-9(33-10)13(20,17(29,30)31)12(19)32-6-4-8(5-7-32)15(23,24)25/h8-12H,1-7H2
InChIKeyCYCCVWADXPTDOC-UHFFFAOYSA-N
MW519.32 g/mol
LogP6.30
Rot. Bonds5

About 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine

1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine (PubChem CID 130427267) has the molecular formula C17H19F14NO and a molecular weight of 519.32 g/mol. Its IUPAC name is 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine
PubChem CID130427267
Molecular FormulaC17H19F14NO
Molecular Weight519.32 g/mol
Exact Mass519.12
IUPAC Name1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCC(C(F)(F)F)CC2)C(F)(F)F)O1
InChIInChI=1S/C17H19F14NO/c18-11(16(26,27)28)14(21,22)10-3-1-2-9(33-10)13(20,17(29,30)31)12(19)32-6-4-8(5-7-32)15(23,24)25/h8-12H,1-7H2
InChIKeyCYCCVWADXPTDOC-UHFFFAOYSA-N
XLogP6.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.32
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine (CID 130427267) is 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine is FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(C(F)N2CCC(C(F)(F)F)CC2)C(F)(F)F)O1.
What is the InChIKey of 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine?
The InChIKey is CYCCVWADXPTDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F14NO/c18-11(16(26,27)28)14(21,22)10-3-1-2-9(33-10)13(20,17(29,30)31)12(19)32-6-4-8(5-7-32)15(23,24)25/h8-12H,1-7H2.
What are the key properties of 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine?
1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine has a molecular weight of 519.32 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,3,3,3-pentafluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130427267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).