2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol

C6H9F2N3O — CID 165463282

IUPAC2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol
SMILESCCc1cn(C(F)(F)CO)nn1
InChIInChI=1S/C6H9F2N3O/c1-2-5-3-11(10-9-5)6(7,8)4-12/h3,12H,2,4H2,1H3
InChIKeyXJJFLUSLCZPHFD-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.38
Rot. Bonds3

About 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol

2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol (PubChem CID 165463282) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol
PubChem CID165463282
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol
SMILESCCc1cn(C(F)(F)CO)nn1
InChIInChI=1S/C6H9F2N3O/c1-2-5-3-11(10-9-5)6(7,8)4-12/h3,12H,2,4H2,1H3
InChIKeyXJJFLUSLCZPHFD-UHFFFAOYSA-N
XLogP0.38
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol (CID 165463282) is 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol is CCc1cn(C(F)(F)CO)nn1.
What is the InChIKey of 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol?
The InChIKey is XJJFLUSLCZPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-2-5-3-11(10-9-5)6(7,8)4-12/h3,12H,2,4H2,1H3.
What are the key properties of 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol?
2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol has a molecular weight of 177.15 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyltriazol-1-yl)-2,2-difluoroethanol is sourced from PubChem (CID 165463282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).