4-(2,4-difluorophenyl)-2-phenyltriazole

C14H9F2N3 — CID 10879727

IUPAC4-(2,4-difluorophenyl)-2-phenyltriazole
SMILESFc1ccc(-c2cnn(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H9F2N3/c15-10-6-7-12(13(16)8-10)14-9-17-19(18-14)11-4-2-1-3-5-11/h1-9H
InChIKeyQHTSXCSDRKHFLA-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.21
Rot. Bonds2

About 4-(2,4-difluorophenyl)-2-phenyltriazole

4-(2,4-difluorophenyl)-2-phenyltriazole (PubChem CID 10879727) has the molecular formula C14H9F2N3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-phenyltriazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-phenyltriazole
PubChem CID10879727
Molecular FormulaC14H9F2N3
Molecular Weight257.24 g/mol
Exact Mass257.08
IUPAC Name4-(2,4-difluorophenyl)-2-phenyltriazole
SMILESFc1ccc(-c2cnn(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H9F2N3/c15-10-6-7-12(13(16)8-10)14-9-17-19(18-14)11-4-2-1-3-5-11/h1-9H
InChIKeyQHTSXCSDRKHFLA-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

5-p-Tolyl-1H-(1,2,3)triazole
CID 594397
4-phenyl-1H-1,2,3-triazole
CID 137153
3-Phenylpyridazine
CID 193499
5-(4-iodophenyl)-1H-1,2,3-triazole
CID 9814061
1H-1,2,3-Triazole, 4-(4-ethylphenyl)-
CID 9920495
1,5-Diphenyl-1H-1,2,3-triazole
CID 281048
4-(3-Methylphenyl)-1H-1,2,3-triazole
CID 6419227
5-(2-methylphenyl)-1H-1,2,3-triazole
CID 9812842
4-Triazolylaniline
CID 9898901
3-(2H-1,2,3-triazol-4-yl)aniline
CID 9964175
5-(3-iodophenyl)-1H-1,2,3-triazole
CID 11173284
5-(2-phenylphenyl)-1H-1,2,3-triazole
CID 9877859

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-phenyltriazole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-phenyltriazole (CID 10879727) is 4-(2,4-difluorophenyl)-2-phenyltriazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-phenyltriazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-phenyltriazole is Fc1ccc(-c2cnn(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-phenyltriazole?
The InChIKey is QHTSXCSDRKHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3/c15-10-6-7-12(13(16)8-10)14-9-17-19(18-14)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 4-(2,4-difluorophenyl)-2-phenyltriazole?
4-(2,4-difluorophenyl)-2-phenyltriazole 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 4-(2,4-difluorophenyl)-2-phenyltriazole is sourced from PubChem (CID 10879727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).