4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide

C12H8F6N4O2 — CID 4625974

IUPAC4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C12H8F6N4O2/c13-10(11(14,15)16)12(17,18)24-8-3-1-7(2-4-8)9(23)21-22-5-19-20-6-22/h1-6,10H,(H,21,23)
InChIKeySTLWWWBOMDPXPY-UHFFFAOYSA-N
MW354.21 g/mol
LogP2.53
Rot. Bonds5

About 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide

4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 4625974) has the molecular formula C12H8F6N4O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID4625974
Molecular FormulaC12H8F6N4O2
Molecular Weight354.21 g/mol
Exact Mass354.06
IUPAC Name4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C12H8F6N4O2/c13-10(11(14,15)16)12(17,18)24-8-3-1-7(2-4-8)9(23)21-22-5-19-20-6-22/h1-6,10H,(H,21,23)
InChIKeySTLWWWBOMDPXPY-UHFFFAOYSA-N
XLogP2.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide (CID 4625974) is 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is STLWWWBOMDPXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N4O2/c13-10(11(14,15)16)12(17,18)24-8-3-1-7(2-4-8)9(23)21-22-5-19-20-6-22/h1-6,10H,(H,21,23).
What are the key properties of 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide?
4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 354.21 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,3,3,3-hexafluoropropoxy)-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 4625974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).