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

C19H18F3N3O — CID 135857075

IUPAC1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
SMILESCCCCn1c(O)c(/N=N/c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H18F3N3O/c1-2-3-12-25-16-11-7-4-8-13(16)17(18(25)26)24-23-15-10-6-5-9-14(15)19(20,21)22/h4-11,26H,2-3,12H2,1H3/b24-23+
InChIKeyUEAYWOUHWJDUNK-WCWDXBQESA-N
MW361.37 g/mol
LogP6.58
Rot. Bonds5

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

1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol (PubChem CID 135857075) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
PubChem CID135857075
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
SMILESCCCCn1c(O)c(/N=N/c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H18F3N3O/c1-2-3-12-25-16-11-7-4-8-13(16)17(18(25)26)24-23-15-10-6-5-9-14(15)19(20,21)22/h4-11,26H,2-3,12H2,1H3/b24-23+
InChIKeyUEAYWOUHWJDUNK-WCWDXBQESA-N
XLogP6.58
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 56.58
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
The IUPAC name of 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol (CID 135857075) is 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol.
What is the SMILES notation for 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
The canonical SMILES for 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol is CCCCn1c(O)c(/N=N/c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
The InChIKey is UEAYWOUHWJDUNK-WCWDXBQESA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-2-3-12-25-16-11-7-4-8-13(16)17(18(25)26)24-23-15-10-6-5-9-14(15)19(20,21)22/h4-11,26H,2-3,12H2,1H3/b24-23+.
What are the key properties of 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol?
1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol has a molecular weight of 361.37 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol is sourced from PubChem (CID 135857075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).