2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

C11H11F2N3O2 — CID 10988840

IUPAC2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2
InChIKeyBZYVJTMKMDGJRN-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.44
Rot. Bonds4

About 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol

2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (PubChem CID 10988840) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
PubChem CID10988840
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
SMILESOCC(O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2
InChIKeyBZYVJTMKMDGJRN-UHFFFAOYSA-N
XLogP0.44
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol 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

(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-5-trimethylsilylpentan-2-ol
CID 11121337
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylselanyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 171345060
2-[2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-4H-1,2,4-triazol-3-one
CID 136657226
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 13305463
(2S)-2-(2,4-difluorophenyl)-1-(4-ethylidenepiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 145196912
2-(2,4-difluorophenyl)-1-(4-ethylidenepiperidin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 145196921
(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-one
CID 141476977
2-(2,4-difluorophenyl)-1-[4-(2-phenylethynyl)pyrazol-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175009522
1-[(4-tert-butylphenyl)methyl-methylamino]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 11524470

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol (CID 10988840) is 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is OCC(O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
The InChIKey is BZYVJTMKMDGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-8-1-2-9(10(13)3-8)11(18,5-17)4-16-7-14-6-15-16/h1-3,6-7,17-18H,4-5H2.
What are the key properties of 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol?
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol has a molecular weight of 255.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 10988840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).