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

C18H18F17NO — CID 130427268

IUPAC1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N2CC(C(F)(F)F)CC(C(F)(F)F)C2)C(F)(F)F)O1
InChIInChI=1S/C18H18F17NO/c19-11(17(30,31)32)13(20,21)9-2-1-3-10(37-9)14(22,23)12(18(33,34)35)36-5-7(15(24,25)26)4-8(6-36)16(27,28)29/h7-12H,1-6H2
InChIKeyILCCOQWUTNXIQH-UHFFFAOYSA-N
MW587.31 g/mol
LogP7.09
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]-3,5-bis(trifluoromethyl)piperidine

1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 130427268) has the molecular formula C18H18F17NO and a molecular weight of 587.31 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]-3,5-bis(trifluoromethyl)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]-3,5-bis(trifluoromethyl)piperidine
PubChem CID130427268
Molecular FormulaC18H18F17NO
Molecular Weight587.31 g/mol
Exact Mass587.11
IUPAC Name1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N2CC(C(F)(F)F)CC(C(F)(F)F)C2)C(F)(F)F)O1
InChIInChI=1S/C18H18F17NO/c19-11(17(30,31)32)13(20,21)9-2-1-3-10(37-9)14(22,23)12(18(33,34)35)36-5-7(15(24,25)26)4-8(6-36)16(27,28)29/h7-12H,1-6H2
InChIKeyILCCOQWUTNXIQH-UHFFFAOYSA-N
XLogP7.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.31
LogP ≤ 57.09
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]-3,5-bis(trifluoromethyl)piperidine with MolForge

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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]-3,5-bis(trifluoromethyl)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]-3,5-bis(trifluoromethyl)piperidine (CID 130427268) is 1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)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]-3,5-bis(trifluoromethyl)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]-3,5-bis(trifluoromethyl)piperidine is FC(C(F)(F)F)C(F)(F)C1CCCC(C(F)(F)C(N2CC(C(F)(F)F)CC(C(F)(F)F)C2)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]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is ILCCOQWUTNXIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F17NO/c19-11(17(30,31)32)13(20,21)9-2-1-3-10(37-9)14(22,23)12(18(33,34)35)36-5-7(15(24,25)26)4-8(6-36)16(27,28)29/h7-12H,1-6H2.
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]-3,5-bis(trifluoromethyl)piperidine?
1-[1,1,1,3,3-pentafluoro-3-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]propan-2-yl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 587.31 g/mol, XLogP of 7.09, 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]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 130427268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).