1-[(2,6-difluorophenyl)methyl]triazole

C9H7F2N3 — CID 57243500

IUPAC1-[(2,6-difluorophenyl)methyl]triazole
SMILESFc1cccc(F)c1Cn1ccnn1
InChIInChI=1S/C9H7F2N3/c10-8-2-1-3-9(11)7(8)6-14-5-4-12-13-14/h1-5H,6H2
InChIKeyBOWZTNKTHNKHQH-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.60
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]triazole

1-[(2,6-difluorophenyl)methyl]triazole (PubChem CID 57243500) has the molecular formula C9H7F2N3 and a molecular weight of 195.17 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]triazole.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]triazole
PubChem CID57243500
Molecular FormulaC9H7F2N3
Molecular Weight195.17 g/mol
Exact Mass195.06
IUPAC Name1-[(2,6-difluorophenyl)methyl]triazole
SMILESFc1cccc(F)c1Cn1ccnn1
InChIInChI=1S/C9H7F2N3/c10-8-2-1-3-9(11)7(8)6-14-5-4-12-13-14/h1-5H,6H2
InChIKeyBOWZTNKTHNKHQH-UHFFFAOYSA-N
XLogP1.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]triazole?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]triazole (CID 57243500) is 1-[(2,6-difluorophenyl)methyl]triazole.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]triazole?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]triazole is Fc1cccc(F)c1Cn1ccnn1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]triazole?
The InChIKey is BOWZTNKTHNKHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3/c10-8-2-1-3-9(11)7(8)6-14-5-4-12-13-14/h1-5H,6H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]triazole?
1-[(2,6-difluorophenyl)methyl]triazole has a molecular weight of 195.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]triazole is sourced from PubChem (CID 57243500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).