5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile

C15H7F3N4 — CID 82197102

IUPAC5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2cccc(F)c2)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H7F3N4/c16-10-2-1-3-11(7-10)22-15(14(8-19)20-21-22)9-4-5-12(17)13(18)6-9/h1-7H
InChIKeyCXYQLPGJVBLYAX-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.22
Rot. Bonds2

About 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile

5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile (PubChem CID 82197102) has the molecular formula C15H7F3N4 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile
PubChem CID82197102
Molecular FormulaC15H7F3N4
Molecular Weight300.24 g/mol
Exact Mass300.06
IUPAC Name5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2cccc(F)c2)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H7F3N4/c16-10-2-1-3-11(7-10)22-15(14(8-19)20-21-22)9-4-5-12(17)13(18)6-9/h1-7H
InChIKeyCXYQLPGJVBLYAX-UHFFFAOYSA-N
XLogP3.22
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-5-(3,4-difluorophenyl)triazole-4-carbonitrile
CID 94940131
1-(1,3-benzodioxol-5-yl)-5-(3-fluorophenyl)triazole-4-carbonitrile
CID 94937535
5-(3,4-difluorophenyl)-1-(2,5-dimethylphenyl)triazole-4-carbonitrile
CID 94936082
1-(3-fluorophenyl)-5-propyltriazole-4-carbonitrile
CID 82197005
1-(3-fluorophenyl)-5-[(4-methylphenoxy)methyl]triazole-4-carbonitrile
CID 82197088
5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile
CID 82196524
5-(3,4-difluorophenyl)-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
CID 94943181
[5-(3,4-difluorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198084
1-(3-nitrophenyl)-5-pyridin-4-yltriazole-4-carbonitrile
CID 82200081
5-(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211795
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
1-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 82195388

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile?
The IUPAC name of 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile (CID 82197102) is 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile?
The canonical SMILES for 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile is N#Cc1nnn(-c2cccc(F)c2)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile?
The InChIKey is CXYQLPGJVBLYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N4/c16-10-2-1-3-11(7-10)22-15(14(8-19)20-21-22)9-4-5-12(17)13(18)6-9/h1-7H.
What are the key properties of 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile?
5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile has a molecular weight of 300.24 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1-(3-fluorophenyl)triazole-4-carbonitrile is sourced from PubChem (CID 82197102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).