2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol

C6H9F2N3O — CID 62402059

IUPAC2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CC(F)F)nn1
InChIInChI=1S/C6H9F2N3O/c7-6(8)4-11-3-5(1-2-12)9-10-11/h3,6,12H,1-2,4H2
InChIKeyCCIZYIMKKNJPDD-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.08
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol

2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol (PubChem CID 62402059) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol
PubChem CID62402059
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol
SMILESOCCc1cn(CC(F)F)nn1
InChIInChI=1S/C6H9F2N3O/c7-6(8)4-11-3-5(1-2-12)9-10-11/h3,6,12H,1-2,4H2
InChIKeyCCIZYIMKKNJPDD-UHFFFAOYSA-N
XLogP0.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol (CID 62402059) is 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol is OCCc1cn(CC(F)F)nn1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol?
The InChIKey is CCIZYIMKKNJPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c7-6(8)4-11-3-5(1-2-12)9-10-11/h3,6,12H,1-2,4H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol?
2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol has a molecular weight of 177.15 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)triazol-4-yl]ethanol is sourced from PubChem (CID 62402059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).