1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine

C17H16F17NO — CID 130427254

IUPAC1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CC(C(F)(F)F)CC(C(F)(F)F)C2)C(F)(F)F)O1
InChIInChI=1S/C17H16F17NO/c18-10(16(29,30)31)13(21,22)9-2-1-8(36-9)12(20,17(32,33)34)11(19)35-4-6(14(23,24)25)3-7(5-35)15(26,27)28/h6-11H,1-5H2
InChIKeyLHAKPDTURDLMTB-UHFFFAOYSA-N
MW573.29 g/mol
LogP6.70
Rot. Bonds5

About 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine

1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 130427254) has the molecular formula C17H16F17NO and a molecular weight of 573.29 g/mol. Its IUPAC name is 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID130427254
Molecular FormulaC17H16F17NO
Molecular Weight573.29 g/mol
Exact Mass573.10
IUPAC Name1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CC(C(F)(F)F)CC(C(F)(F)F)C2)C(F)(F)F)O1
InChIInChI=1S/C17H16F17NO/c18-10(16(29,30)31)13(21,22)9-2-1-8(36-9)12(20,17(32,33)34)11(19)35-4-6(14(23,24)25)3-7(5-35)15(26,27)28/h6-11H,1-5H2
InChIKeyLHAKPDTURDLMTB-UHFFFAOYSA-N
XLogP6.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.29
LogP ≤ 56.70
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-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine (CID 130427254) is 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CC(C(F)(F)F)CC(C(F)(F)F)C2)C(F)(F)F)O1.
What is the InChIKey of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is LHAKPDTURDLMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F17NO/c18-10(16(29,30)31)13(21,22)9-2-1-8(36-9)12(20,17(32,33)34)11(19)35-4-6(14(23,24)25)3-7(5-35)15(26,27)28/h6-11H,1-5H2.
What are the key properties of 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine?
1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 573.29 g/mol, XLogP of 6.70, 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-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 130427254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).