3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole

C14H9F2N3 — CID 115393413

IUPAC3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
SMILESFc1ccc(-c2nncn2-c2ccccc2)cc1F
InChIInChI=1S/C14H9F2N3/c15-12-7-6-10(8-13(12)16)14-18-17-9-19(14)11-4-2-1-3-5-11/h1-9H
InChIKeyBEYRXXKIANTPLR-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.21
Rot. Bonds2

About 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole

3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole (PubChem CID 115393413) has the molecular formula C14H9F2N3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
PubChem CID115393413
Molecular FormulaC14H9F2N3
Molecular Weight257.24 g/mol
Exact Mass257.08
IUPAC Name3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
SMILESFc1ccc(-c2nncn2-c2ccccc2)cc1F
InChIInChI=1S/C14H9F2N3/c15-12-7-6-10(8-13(12)16)14-18-17-9-19(14)11-4-2-1-3-5-11/h1-9H
InChIKeyBEYRXXKIANTPLR-UHFFFAOYSA-N
XLogP3.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449
3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393323
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
3-(3-fluoro-5-nitrophenyl)-4-phenyl-1,2,4-triazole
CID 115393274
3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
CID 115393480
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
5-chloro-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 62710247
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
(Z)-1-(3,4-difluorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028340
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
CID 115393303
4-[4-(3-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 126515199

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole (CID 115393413) is 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole is Fc1ccc(-c2nncn2-c2ccccc2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole?
The InChIKey is BEYRXXKIANTPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3/c15-12-7-6-10(8-13(12)16)14-18-17-9-19(14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole?
3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole has a molecular weight of 257.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).