1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol

C10H12F2O4 — CID 171872259

IUPAC1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1c(F)cc(O)cc1F
InChIInChI=1S/C10H12F2O4/c11-6-3-5(14)4-7(12)9(6)10(16)8(15)1-2-13/h3-4,8,10,13-16H,1-2H2
InChIKeyDROAXQLZULZVEB-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.45
Rot. Bonds4

About 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol

1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol (PubChem CID 171872259) has the molecular formula C10H12F2O4 and a molecular weight of 234.20 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
PubChem CID171872259
Molecular FormulaC10H12F2O4
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Name1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1c(F)cc(O)cc1F
InChIInChI=1S/C10H12F2O4/c11-6-3-5(14)4-7(12)9(6)10(16)8(15)1-2-13/h3-4,8,10,13-16H,1-2H2
InChIKeyDROAXQLZULZVEB-UHFFFAOYSA-N
XLogP0.45
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol 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

1-(2,4,6-trifluorophenyl)butane-1,2,4-triol
CID 171872119
4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol
CID 171879424
1-(2,4-dibromo-6-fluorophenyl)butane-1,2,4-triol
CID 171873416
1-(3,5-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872261
1-(2,6-dichloro-4-fluorophenyl)butane-1,2,4-triol
CID 171872114
4-amino-1-(4-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881338
1-(3,4-difluoro-5-hydroxyphenyl)butane-1,2,4-triol
CID 171872253
1-(3-chloro-5-hydroxyphenyl)butane-1,2,4-triol
CID 171871896
1-(4-amino-2,6-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171874173
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
1-(4-chloro-3-fluorophenyl)butane-1,2,4-triol
CID 171871880

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol?
The IUPAC name of 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol (CID 171872259) is 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol is OCCC(O)C(O)c1c(F)cc(O)cc1F.
What is the InChIKey of 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol?
The InChIKey is DROAXQLZULZVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O4/c11-6-3-5(14)4-7(12)9(6)10(16)8(15)1-2-13/h3-4,8,10,13-16H,1-2H2.
What are the key properties of 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol?
1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol has a molecular weight of 234.20 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2,4-triol is sourced from PubChem (CID 171872259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).