1-[3-(difluoromethyl)phenyl]triazole

C9H7F2N3 — CID 150498376

IUPAC1-[3-(difluoromethyl)phenyl]triazole
SMILESFC(F)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C9H7F2N3/c10-9(11)7-2-1-3-8(6-7)14-5-4-12-13-14/h1-6,9H
InChIKeyHXGYSEDDGAJSIM-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.20
Rot. Bonds2

About 1-[3-(difluoromethyl)phenyl]triazole

1-[3-(difluoromethyl)phenyl]triazole (PubChem CID 150498376) has the molecular formula C9H7F2N3 and a molecular weight of 195.17 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]triazole
PubChem CID150498376
Molecular FormulaC9H7F2N3
Molecular Weight195.17 g/mol
Exact Mass195.06
IUPAC Name1-[3-(difluoromethyl)phenyl]triazole
SMILESFC(F)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C9H7F2N3/c10-9(11)7-2-1-3-8(6-7)14-5-4-12-13-14/h1-6,9H
InChIKeyHXGYSEDDGAJSIM-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]triazole?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]triazole (CID 150498376) is 1-[3-(difluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]triazole is FC(F)c1cccc(-n2ccnn2)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]triazole?
The InChIKey is HXGYSEDDGAJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3/c10-9(11)7-2-1-3-8(6-7)14-5-4-12-13-14/h1-6,9H.
What are the key properties of 1-[3-(difluoromethyl)phenyl]triazole?
1-[3-(difluoromethyl)phenyl]triazole has a molecular weight of 195.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]triazole is sourced from PubChem (CID 150498376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).