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Trifluperidol

C22H23F4NO2 — CID 5567

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
InChIKeyGPMXUUPHFNMNDH-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.79
Rot. Bonds6

About Trifluperidol

Trifluperidol (PubChem CID 5567) has the molecular formula C22H23F4NO2 and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound NameTrifluperidol
PubChem CID5567
Molecular FormulaC22H23F4NO2
Molecular Weight409.42 g/mol
Exact Mass409.17
IUPAC Name1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
InChIKeyGPMXUUPHFNMNDH-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Haloperidol
CID 3559
Bromperidol
CID 2448
Moperone
CID 4249
Trifluperidol hydrochloride
CID 11647992
Lobeline, (+)-
CID 5288703
1-(4-Fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one
CID 18367
Haloperidol hydrochloride
CID 11495267
2-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethan-1-one
CID 3945
3-Benzoyl-4-hydroxy-1-methyl-4-phenylpiperidine
CID 20784
4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(2-fluorophenyl)butan-1-one
CID 71315272

Frequently Asked Questions

What is the IUPAC name of Trifluperidol?
The IUPAC name of Trifluperidol (CID 5567) is 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for Trifluperidol?
The canonical SMILES for Trifluperidol is O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of Trifluperidol?
The InChIKey is GPMXUUPHFNMNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2.
What are the key properties of Trifluperidol?
Trifluperidol has a molecular weight of 409.42 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Trifluperidol is sourced from PubChem (CID 5567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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