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

C11H11F2N3O2 — CID 62402019

IUPAC2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccccc2OC(F)F)nn1
InChIInChI=1S/C11H11F2N3O2/c12-11(13)18-10-4-2-1-3-9(10)16-7-8(5-6-17)14-15-16/h1-4,7,11,17H,5-6H2
InChIKeyCFRGVVFAPMNDOV-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.40
Rot. Bonds5

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

2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol (PubChem CID 62402019) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
PubChem CID62402019
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccccc2OC(F)F)nn1
InChIInChI=1S/C11H11F2N3O2/c12-11(13)18-10-4-2-1-3-9(10)16-7-8(5-6-17)14-15-16/h1-4,7,11,17H,5-6H2
InChIKeyCFRGVVFAPMNDOV-UHFFFAOYSA-N
XLogP1.40
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol (CID 62402019) is 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol is OCCc1cn(-c2ccccc2OC(F)F)nn1.
What is the InChIKey of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol?
The InChIKey is CFRGVVFAPMNDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-11(13)18-10-4-2-1-3-9(10)16-7-8(5-6-17)14-15-16/h1-4,7,11,17H,5-6H2.
What are the key properties of 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol?
2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol has a molecular weight of 255.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62402019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).