2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol

C13H15F2N3O — CID 138056433

IUPAC2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CCc2cccc(F)c2F)nn1
InChIInChI=1S/C13H15F2N3O/c1-13(2,19)11-8-18(17-16-11)7-6-9-4-3-5-10(14)12(9)15/h3-5,8,19H,6-7H2,1-2H3
InChIKeyIKWNRCKKIAMLKC-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol

2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol (PubChem CID 138056433) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol
PubChem CID138056433
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CCc2cccc(F)c2F)nn1
InChIInChI=1S/C13H15F2N3O/c1-13(2,19)11-8-18(17-16-11)7-6-9-4-3-5-10(14)12(9)15/h3-5,8,19H,6-7H2,1-2H3
InChIKeyIKWNRCKKIAMLKC-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 113461364
2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 107309599
2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]ethanol
CID 55066656
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317
2-[1-[(3-bromo-4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 113461340
2-[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]acetic acid
CID 107461349
4-(1-bromoethyl)-1-[(2,3-difluorophenyl)methyl]triazole
CID 81448341
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
[4-tert-butyl-5-[(2,3-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115396561
3-(2,3-difluorophenyl)propan-1-ol
CID 53434260
3-[2-(2,3-difluorophenyl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 167822338
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol (CID 138056433) is 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(CCc2cccc(F)c2F)nn1.
What is the InChIKey of 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol?
The InChIKey is IKWNRCKKIAMLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-13(2,19)11-8-18(17-16-11)7-6-9-4-3-5-10(14)12(9)15/h3-5,8,19H,6-7H2,1-2H3.
What are the key properties of 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol?
2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol has a molecular weight of 267.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 138056433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).