5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole

C9H7F2N3O — CID 90945795

IUPAC5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole
SMILESFC(F)Oc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C9H7F2N3O/c10-9(11)15-7-3-1-2-6(4-7)8-12-5-13-14-8/h1-5,9H,(H,12,13,14)
InChIKeyHSPYZPPFPKPTGT-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.07
Rot. Bonds3

About 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole

5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole (PubChem CID 90945795) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole
PubChem CID90945795
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole
SMILESFC(F)Oc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C9H7F2N3O/c10-9(11)15-7-3-1-2-6(4-7)8-12-5-13-14-8/h1-5,9H,(H,12,13,14)
InChIKeyHSPYZPPFPKPTGT-UHFFFAOYSA-N
XLogP2.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole (CID 90945795) is 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole is FC(F)Oc1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole?
The InChIKey is HSPYZPPFPKPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-9(11)15-7-3-1-2-6(4-7)8-12-5-13-14-8/h1-5,9H,(H,12,13,14).
What are the key properties of 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole?
5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole has a molecular weight of 211.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 90945795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).