1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol

C10H9F2N3O — CID 109400824

IUPAC1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
SMILESOC(Cn1cnnc1)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-5-13-14-6-15/h1-3,5-6,10,16H,4H2
InChIKeyJAUHHNGCHWULIT-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.29
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol

1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol (PubChem CID 109400824) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
PubChem CID109400824
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
SMILESOC(Cn1cnnc1)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-5-13-14-6-15/h1-3,5-6,10,16H,4H2
InChIKeyJAUHHNGCHWULIT-UHFFFAOYSA-N
XLogP1.29
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-2-(1,2,4-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

Related Compounds

2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-3-sulfanylpropan-1-ol
CID 116830989
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyrimidin-4-one
CID 167943855
(2,4-difluorophenyl)methanediol
CID 91089962
3-(2,4-difluorophenyl)-3-hydroxypropanamide
CID 69415011
1-(2,4-difluorophenyl)but-3-en-1-ol
CID 18924035
3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 94385950
6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 110921670
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol (CID 109400824) is 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol is OC(Cn1cnnc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol?
The InChIKey is JAUHHNGCHWULIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-5-13-14-6-15/h1-3,5-6,10,16H,4H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol?
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol has a molecular weight of 225.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol is sourced from PubChem (CID 109400824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).