2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline

C14H10F2N4 — CID 107616039

IUPAC2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
SMILESNc1cc(F)c(-c2cnnn2-c2ccccc2)cc1F
InChIInChI=1S/C14H10F2N4/c15-11-7-13(17)12(16)6-10(11)14-8-18-19-20(14)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeyQODBVTUYXLCAKS-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.79
Rot. Bonds2

About 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline

2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline (PubChem CID 107616039) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
PubChem CID107616039
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline
SMILESNc1cc(F)c(-c2cnnn2-c2ccccc2)cc1F
InChIInChI=1S/C14H10F2N4/c15-11-7-13(17)12(16)6-10(11)14-8-18-19-20(14)9-4-2-1-3-5-9/h1-8H,17H2
InChIKeyQODBVTUYXLCAKS-UHFFFAOYSA-N
XLogP2.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-fluoro-3-(3-phenyltriazol-4-yl)phenyl]ethanamine
CID 114689809
4-(3-phenyltriazol-4-yl)aniline
CID 53485501
2-methyl-4-(3-phenyltriazol-4-yl)aniline
CID 114689600
5-(2-bromophenyl)-1-phenyltriazole
CID 146164567
[2-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689604
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
6-(3-phenyltriazol-4-yl)pyrimidine-2,4-diamine
CID 106878720
4-fluoro-2-(3-phenyltriazol-4-yl)pyridine
CID 102824567
4-chloro-2-(3-phenyltriazol-4-yl)benzaldehyde
CID 114689678
4-chloro-2-(3-phenyltriazol-4-yl)benzoic acid
CID 107989897
5-(3-chloro-2,6-difluorophenyl)-1-phenyltriazole
CID 134343051
1-methyl-5-(3-phenyltriazol-4-yl)triazole
CID 22215524

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline?
The IUPAC name of 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline (CID 107616039) is 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline.
What is the SMILES notation for 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline?
The canonical SMILES for 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline is Nc1cc(F)c(-c2cnnn2-c2ccccc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline?
The InChIKey is QODBVTUYXLCAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c15-11-7-13(17)12(16)6-10(11)14-8-18-19-20(14)9-4-2-1-3-5-9/h1-8H,17H2.
What are the key properties of 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline?
2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline has a molecular weight of 272.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(3-phenyltriazol-4-yl)aniline is sourced from PubChem (CID 107616039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).