2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol

C19H16F3N3O — CID 57273760

IUPAC2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol
SMILESCC(=Cc1ccc(F)cc1)C(O)(Cc1cn[nH]n1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F3N3O/c1-12(8-13-2-4-14(20)5-3-13)19(26,10-16-11-23-25-24-16)17-7-6-15(21)9-18(17)22/h2-9,11,26H,10H2,1H3,(H,23,24,25)
InChIKeyAEXPTZKDGZFKMV-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.76
Rot. Bonds5

About 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol

2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol (PubChem CID 57273760) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol
PubChem CID57273760
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol
SMILESCC(=Cc1ccc(F)cc1)C(O)(Cc1cn[nH]n1)c1ccc(F)cc1F
InChIInChI=1S/C19H16F3N3O/c1-12(8-13-2-4-14(20)5-3-13)19(26,10-16-11-23-25-24-16)17-7-6-15(21)9-18(17)22/h2-9,11,26H,10H2,1H3,(H,23,24,25)
InChIKeyAEXPTZKDGZFKMV-UHFFFAOYSA-N
XLogP3.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol 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 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol (CID 57273760) is 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol is CC(=Cc1ccc(F)cc1)C(O)(Cc1cn[nH]n1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol?
The InChIKey is AEXPTZKDGZFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12(8-13-2-4-14(20)5-3-13)19(26,10-16-11-23-25-24-16)17-7-6-15(21)9-18(17)22/h2-9,11,26H,10H2,1H3,(H,23,24,25).
What are the key properties of 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol?
2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol has a molecular weight of 359.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-4-(4-fluorophenyl)-3-methyl-1-(2H-triazol-4-yl)but-3-en-2-ol is sourced from PubChem (CID 57273760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).