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

C11H14F3NO — CID 104787968

IUPAC3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-2-1-5-15(7-8)9-3-4-10(16)6-9/h6,8H,1-5,7H2
InChIKeyUKCOKUFXNWHJDM-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.51
Rot. Bonds1

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

3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787968) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
PubChem CID104787968
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-2-1-5-15(7-8)9-3-4-10(16)6-9/h6,8H,1-5,7H2
InChIKeyUKCOKUFXNWHJDM-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

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-[4-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787969
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
3-[3-(Trifluoromethyl)pyrrolidin-1-yl]cyclopent-2-en-1-one
CID 130507399
3-[(3,3-Difluorocyclobutyl)methyl-methylamino]cyclopent-2-en-1-one
CID 130993441
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one
CID 131187056

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one (CID 104787968) is 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one is O=C1C=C(N2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
The InChIKey is UKCOKUFXNWHJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)8-2-1-5-15(7-8)9-3-4-10(16)6-9/h6,8H,1-5,7H2.
What are the key properties of 3-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one?
3-[3-(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-[3-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).