(4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol

C22H16F12N2O2 — CID 5467793

IUPAC(4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol
SMILESOC(C/C(=N/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H16F12N2O2/c23-19(24,25)17(37,20(26,27)28)11-15(13-7-3-1-4-8-13)35-36-16(14-9-5-2-6-10-14)12-18(38,21(29,30)31)22(32,33)34/h1-10,37-38H,11-12H2/b35-15-,36-16-
InChIKeyOCYOZXHRTYHUGG-RLCVYHGHSA-N
MW568.36 g/mol
LogP6.37
Rot. Bonds7

About (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol

(4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol (PubChem CID 5467793) has the molecular formula C22H16F12N2O2 and a molecular weight of 568.36 g/mol. Its IUPAC name is (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name(4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol
PubChem CID5467793
Molecular FormulaC22H16F12N2O2
Molecular Weight568.36 g/mol
Exact Mass568.10
IUPAC Name(4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol
SMILESOC(C/C(=N/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H16F12N2O2/c23-19(24,25)17(37,20(26,27)28)11-15(13-7-3-1-4-8-13)35-36-16(14-9-5-2-6-10-14)12-18(38,21(29,30)31)22(32,33)34/h1-10,37-38H,11-12H2/b35-15-,36-16-
InChIKeyOCYOZXHRTYHUGG-RLCVYHGHSA-N
XLogP6.37
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.36
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol with MolForge

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Related Compounds

2-Pentanone, 4-hydroxy-1-phenyl-5,5,5-trifluoro-4-(trifluoromethyl)-, oxime
CID 5464796
Butyrophenone, 3-hydroxy-4,4,4-trifluoro-3-trifluoromethyl-, oxime
CID 6069848
5-Hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 2880976
(4E)-1,1,1-trifluoro-4-phenyl-4-[(E)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol
CID 5362292
5,5,5-Trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)-2-pentanone oxime
CID 5383436
4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-1-butanone hydrazone
CID 5915856
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-4H-1,2-oxazol-5-ol
CID 87600016
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-4H-1,2-oxazol-5-ol
CID 89298413
2-(Benzenecarboximidoyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
CID 91457304
Potassium 4-(benzhydrylidenehydrazinylidene)-1,1,1,5,5-pentafluoropent-2-en-2-olate
CID 121301772
2-[3-(2,6-Difluorophenyl)-8-methyl-4a-propan-2-yl-4,5,6,7-tetrahydrocinnolin-8-yl]propan-2-ol
CID 123148909
5-(3-Fluorophenyl)-4-(trifluoromethyl)-2,3,4a,7,8,9-hexahydropyrido[3,2-c]azepin-4-ol
CID 123874401

Frequently Asked Questions

What is the IUPAC name of (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol (CID 5467793) is (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol is OC(C/C(=N/N=C(/CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol?
The InChIKey is OCYOZXHRTYHUGG-RLCVYHGHSA-N. The full InChI is InChI=1S/C22H16F12N2O2/c23-19(24,25)17(37,20(26,27)28)11-15(13-7-3-1-4-8-13)35-36-16(14-9-5-2-6-10-14)12-18(38,21(29,30)31)22(32,33)34/h1-10,37-38H,11-12H2/b35-15-,36-16-.
What are the key properties of (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol?
(4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol has a molecular weight of 568.36 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 5467793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).