1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol

C18H16F3N3O — CID 3959776

IUPAC1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
SMILESCC(C)n1c(O)c(/N=N/c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H16F3N3O/c1-11(2)24-15-10-6-3-7-12(15)16(17(24)25)23-22-14-9-5-4-8-13(14)18(19,20)21/h3-11,25H,1-2H3/b23-22+
InChIKeySGBMEKIVFSGLPA-GHVJWSGMSA-N
MW347.34 g/mol
LogP6.36
Rot. Bonds3

About 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol

1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol (PubChem CID 3959776) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
PubChem CID3959776
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
SMILESCC(C)n1c(O)c(/N=N/c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H16F3N3O/c1-11(2)24-15-10-6-3-7-12(15)16(17(24)25)23-22-14-9-5-4-8-13(14)18(19,20)21/h3-11,25H,1-2H3/b23-22+
InChIKeySGBMEKIVFSGLPA-GHVJWSGMSA-N
XLogP6.36
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]diazenyl]-1-propan-2-ylindol-2-ol
CID 3406279
4-chloro-3-[(2-hydroxy-1-propan-2-ylindol-3-yl)diazenyl]benzoic acid
CID 135846205
1-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methylthiourea
CID 3947089
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)diazenyl]-1-propan-2-ylindol-2-ol
CID 135702232
5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 135775276
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-phenylacetamide
CID 726771
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-2-(1-methylpyrrol-2-yl)acetamide
CID 135620100
2-methoxy-4-[[2-(trifluoromethyl)phenyl]diazenyl]naphthalen-1-ol
CID 136661067
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582442
2-(1-adamantyl)-N-(2-hydroxy-1-propan-2-ylindol-3-yl)iminoacetamide
CID 135775403
[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]methanol
CID 117120272
1-(3,4-dimethoxyphenyl)-3-(2-hydroxy-1-propan-2-ylindol-3-yl)iminothiourea
CID 4650752

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
The IUPAC name of 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol (CID 3959776) is 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol.
What is the SMILES notation for 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
The canonical SMILES for 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol is CC(C)n1c(O)c(/N=N/c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
The InChIKey is SGBMEKIVFSGLPA-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-11(2)24-15-10-6-3-7-12(15)16(17(24)25)23-22-14-9-5-4-8-13(14)18(19,20)21/h3-11,25H,1-2H3/b23-22+.
What are the key properties of 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol has a molecular weight of 347.34 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol is sourced from PubChem (CID 3959776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).