3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one

C11H14F3NO — CID 104787969

IUPAC3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-3-5-15(6-4-8)9-1-2-10(16)7-9/h7-8H,1-6H2
InChIKeyNFFGCZCAKZSNJI-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.51
Rot. Bonds1

About 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one

3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787969) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
PubChem CID104787969
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-3-5-15(6-4-8)9-1-2-10(16)7-9/h7-8H,1-6H2
InChIKeyNFFGCZCAKZSNJI-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
CID 8003265
1-(5,5,5-Trifluoro-4-oxopent-2-en-2-yl)piperidine-4-carboxamide
CID 72067070
1-[(E)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]piperidine-4-carboxamide
CID 16254222
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787736
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787838
3-[Propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787843
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787844
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one
CID 104787890
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
CID 104787967
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787968
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclopent-2-en-1-one
CID 114490047
3-[2,2-Difluoroethyl(methyl)amino]cyclopent-2-en-1-one
CID 116315363

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one (CID 104787969) is 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one is O=C1C=C(N2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
The InChIKey is NFFGCZCAKZSNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)8-3-5-15(6-4-8)9-1-2-10(16)7-9/h7-8H,1-6H2.
What are the key properties of 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one has a molecular weight of 233.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).