4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one

C11H10F7NO — CID 13196958

IUPAC4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one
SMILESO=C1C(C(F)(F)F)=C(N2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F7NO/c12-9(13)7(19-4-2-1-3-5-19)6(11(16,17)18)8(20)10(9,14)15/h1-5H2
InChIKeyGCKKFEHRKYULLF-UHFFFAOYSA-N
MW305.19 g/mol
LogP3.14
Rot. Bonds1

About 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one

4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one (PubChem CID 13196958) has the molecular formula C11H10F7NO and a molecular weight of 305.19 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one
PubChem CID13196958
Molecular FormulaC11H10F7NO
Molecular Weight305.19 g/mol
Exact Mass305.07
IUPAC Name4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one
SMILESO=C1C(C(F)(F)F)=C(N2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F7NO/c12-9(13)7(19-4-2-1-3-5-19)6(11(16,17)18)8(20)10(9,14)15/h1-5H2
InChIKeyGCKKFEHRKYULLF-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 24747264
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopent-2-en-1-one
CID 114490047
3-(4,4-Difluoropiperidin-1-yl)cyclopent-2-en-1-one
CID 164645375
2-Ethyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 15105494
1-(2,3,5,6,7,8-Hexahydroindolizin-1-yl)ethanone
CID 45086351

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one?
The IUPAC name of 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one (CID 13196958) is 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one?
The canonical SMILES for 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one is O=C1C(C(F)(F)F)=C(N2CCCCC2)C(F)(F)C1(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one?
The InChIKey is GCKKFEHRKYULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7NO/c12-9(13)7(19-4-2-1-3-5-19)6(11(16,17)18)8(20)10(9,14)15/h1-5H2.
What are the key properties of 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one?
4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one has a molecular weight of 305.19 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 13196958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).