1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol

C11H11F2N3O2 — CID 154406883

IUPAC1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1ncnn1-c1cccc(OC(F)F)c1
InChIInChI=1S/C11H11F2N3O2/c1-7(17)10-14-6-15-16(10)8-3-2-4-9(5-8)18-11(12)13/h2-7,11,17H,1H3
InChIKeyZYGYNNKGEKIKBL-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol

1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol (PubChem CID 154406883) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol
PubChem CID154406883
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1ncnn1-c1cccc(OC(F)F)c1
InChIInChI=1S/C11H11F2N3O2/c1-7(17)10-14-6-15-16(10)8-3-2-4-9(5-8)18-11(12)13/h2-7,11,17H,1H3
InChIKeyZYGYNNKGEKIKBL-UHFFFAOYSA-N
XLogP1.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol (CID 154406883) is 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol is CC(O)c1ncnn1-c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
The InChIKey is ZYGYNNKGEKIKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-7(17)10-14-6-15-16(10)8-3-2-4-9(5-8)18-11(12)13/h2-7,11,17H,1H3.
What are the key properties of 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol?
1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol has a molecular weight of 255.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 154406883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).