1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole

C19H13F2N3 — CID 155549028

IUPAC1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole
SMILESFc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)c(F)c1
InChIInChI=1S/C19H13F2N3/c20-15-9-10-16(17(21)11-15)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2
InChIKeyUTXFSAKDCRYBGC-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.42
Rot. Bonds3

About 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole

1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole (PubChem CID 155549028) has the molecular formula C19H13F2N3 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole
PubChem CID155549028
Molecular FormulaC19H13F2N3
Molecular Weight321.33 g/mol
Exact Mass321.11
IUPAC Name1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole
SMILESFc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)c(F)c1
InChIInChI=1S/C19H13F2N3/c20-15-9-10-16(17(21)11-15)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2
InChIKeyUTXFSAKDCRYBGC-UHFFFAOYSA-N
XLogP4.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole 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 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole?
The IUPAC name of 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole (CID 155549028) is 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole.
What is the SMILES notation for 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole?
The canonical SMILES for 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole is Fc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)c(F)c1.
What is the InChIKey of 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole?
The InChIKey is UTXFSAKDCRYBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3/c20-15-9-10-16(17(21)11-15)14-7-5-13(6-8-14)12-24-19-4-2-1-3-18(19)22-23-24/h1-11H,12H2.
What are the key properties of 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole?
1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole has a molecular weight of 321.33 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,4-difluorophenyl)phenyl]methyl]benzotriazole is sourced from PubChem (CID 155549028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).