1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine

C16H17F14NO — CID 130427244

IUPAC1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CCC(C(F)(F)F)CC2)C(F)(F)F)O1
InChIInChI=1S/C16H17F14NO/c17-10(15(25,26)27)13(20,21)9-2-1-8(32-9)12(19,16(28,29)30)11(18)31-5-3-7(4-6-31)14(22,23)24/h7-11H,1-6H2
InChIKeyGGHSOSAFWXMRPY-UHFFFAOYSA-N
MW505.29 g/mol
LogP5.91
Rot. Bonds5

About 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine

1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine (PubChem CID 130427244) has the molecular formula C16H17F14NO and a molecular weight of 505.29 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]-4-(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]-4-(trifluoromethyl)piperidine
PubChem CID130427244
Molecular FormulaC16H17F14NO
Molecular Weight505.29 g/mol
Exact Mass505.11
IUPAC Name1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N2CCC(C(F)(F)F)CC2)C(F)(F)F)O1
InChIInChI=1S/C16H17F14NO/c17-10(15(25,26)27)13(20,21)9-2-1-8(32-9)12(19,16(28,29)30)11(18)31-5-3-7(4-6-31)14(22,23)24/h7-11H,1-6H2
InChIKeyGGHSOSAFWXMRPY-UHFFFAOYSA-N
XLogP5.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.29
LogP ≤ 55.91
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]-4-(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]-4-(trifluoromethyl)piperidine (CID 130427244) is 1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(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]-4-(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]-4-(trifluoromethyl)piperidine is FC(C(F)(F)F)C(F)(F)C1CCC(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-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine?
The InChIKey is GGHSOSAFWXMRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F14NO/c17-10(15(25,26)27)13(20,21)9-2-1-8(32-9)12(19,16(28,29)30)11(18)31-5-3-7(4-6-31)14(22,23)24/h7-11H,1-6H2.
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]-4-(trifluoromethyl)piperidine?
1-[1,2,3,3,3-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propyl]-4-(trifluoromethyl)piperidine has a molecular weight of 505.29 g/mol, XLogP of 5.91, 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]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130427244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).