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Fluphenazine

C22H26F3N3OS — CID 3372

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

IUPAC2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
InChIKeyPLDUPXSUYLZYBN-UHFFFAOYSA-N
MW437.53 g/mol
LogP4.31
Rot. Bonds6

About Fluphenazine

Fluphenazine (PubChem CID 3372) has the molecular formula C22H26F3N3OS and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound NameFluphenazine
PubChem CID3372
Molecular FormulaC22H26F3N3OS
Molecular Weight437.53 g/mol
Exact Mass437.17
IUPAC Name2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
InChIKeyPLDUPXSUYLZYBN-UHFFFAOYSA-N
XLogP4.31
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trifluoperazine
CID 5566
Triflupromazine
CID 5568
Periciazine
CID 4747
Ftormetazine
CID 969494
Hexahydro-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1H-1,4-diazepine-1-ethanol
CID 19687
Fluoperazine
CID 2913535

Frequently Asked Questions

What is the IUPAC name of Fluphenazine?
The IUPAC name of Fluphenazine (CID 3372) is 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol.
What is the SMILES notation for Fluphenazine?
The canonical SMILES for Fluphenazine is OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.
What is the InChIKey of Fluphenazine?
The InChIKey is PLDUPXSUYLZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2.
What are the key properties of Fluphenazine?
Fluphenazine has a molecular weight of 437.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Fluphenazine is sourced from PubChem (CID 3372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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