1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine

C11H10F9N — CID 13196957

IUPAC1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine
SMILESFC(F)(F)C1=C(N2CCCCC2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F9N/c12-8(13)6(10(16,17)18)7(9(14,15)11(8,19)20)21-4-2-1-3-5-21/h1-5H2
InChIKeyXUHBJWTWGTWOKR-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.21
Rot. Bonds1

About 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine

1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine (PubChem CID 13196957) has the molecular formula C11H10F9N and a molecular weight of 327.19 g/mol. Its IUPAC name is 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine.

Molecular Properties

Compound Name1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine
PubChem CID13196957
Molecular FormulaC11H10F9N
Molecular Weight327.19 g/mol
Exact Mass327.07
IUPAC Name1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine
SMILESFC(F)(F)C1=C(N2CCCCC2)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F9N/c12-8(13)6(10(16,17)18)7(9(14,15)11(8,19)20)21-4-2-1-3-5-21/h1-5H2
InChIKeyXUHBJWTWGTWOKR-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine?
The IUPAC name of 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine (CID 13196957) is 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine.
What is the SMILES notation for 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine?
The canonical SMILES for 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine is FC(F)(F)C1=C(N2CCCCC2)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine?
The InChIKey is XUHBJWTWGTWOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F9N/c12-8(13)6(10(16,17)18)7(9(14,15)11(8,19)20)21-4-2-1-3-5-21/h1-5H2.
What are the key properties of 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine?
1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine has a molecular weight of 327.19 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3,4,4,5,5-hexafluoro-2-(trifluoromethyl)cyclopenten-1-yl]piperidine is sourced from PubChem (CID 13196957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).