5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide

C10H5F5N4O2 — CID 169404442

IUPAC5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1c(F)cc(OC(F)(F)F)cc1F
InChIInChI=1S/C10H5F5N4O2/c11-4-1-3(21-10(13,14)15)2-5(12)6(4)7-8(9(16)20)18-19-17-7/h1-2H,(H2,16,20)(H,17,18,19)
InChIKeyFVHZRBVQPNYTAO-UHFFFAOYSA-N
MW308.17 g/mol
LogP1.75
Rot. Bonds3

About 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide

5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169404442) has the molecular formula C10H5F5N4O2 and a molecular weight of 308.17 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
PubChem CID169404442
Molecular FormulaC10H5F5N4O2
Molecular Weight308.17 g/mol
Exact Mass308.03
IUPAC Name5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1c(F)cc(OC(F)(F)F)cc1F
InChIInChI=1S/C10H5F5N4O2/c11-4-1-3(21-10(13,14)15)2-5(12)6(4)7-8(9(16)20)18-19-17-7/h1-2H,(H2,16,20)(H,17,18,19)
InChIKeyFVHZRBVQPNYTAO-UHFFFAOYSA-N
XLogP1.75
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-(2,4,5-trifluorophenyl)-2H-triazole-4-carboxamide
CID 169402152
5-[5-bromo-2-hydroxy-3-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404776
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402175
2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
CID 119008473
5-(3,5-difluorophenyl)-2H-triazole-4-carboxamide
CID 169402046
ethyl 5-(2-fluoro-4,6-dimethoxyphenyl)-2H-triazole-4-carboxylate
CID 169401502
5-(3,6-dichloro-2-fluorophenyl)-2H-triazole-4-carboxamide
CID 169402307
5-(2-bromo-6-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402418
5-[2,6-dichloro-3-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402340
5-(3,5-difluoro-4-propoxyphenyl)-2H-triazole-4-carboxamide
CID 169402590

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide (CID 169404442) is 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1c(F)cc(OC(F)(F)F)cc1F.
What is the InChIKey of 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is FVHZRBVQPNYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N4O2/c11-4-1-3(21-10(13,14)15)2-5(12)6(4)7-8(9(16)20)18-19-17-7/h1-2H,(H2,16,20)(H,17,18,19).
What are the key properties of 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide?
5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 308.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169404442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).