3-(2,3-difluorophenoxy)propane-1,2-diol

C9H10F2O3 — CID 79838719

IUPAC3-(2,3-difluorophenoxy)propane-1,2-diol
SMILESOCC(O)COc1cccc(F)c1F
InChIInChI=1S/C9H10F2O3/c10-7-2-1-3-8(9(7)11)14-5-6(13)4-12/h1-3,6,12-13H,4-5H2
InChIKeyPFBIWTGNOYQSPJ-UHFFFAOYSA-N
MW204.17 g/mol
LogP0.70
Rot. Bonds4

About 3-(2,3-difluorophenoxy)propane-1,2-diol

3-(2,3-difluorophenoxy)propane-1,2-diol (PubChem CID 79838719) has the molecular formula C9H10F2O3 and a molecular weight of 204.17 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)propane-1,2-diol
PubChem CID79838719
Molecular FormulaC9H10F2O3
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC Name3-(2,3-difluorophenoxy)propane-1,2-diol
SMILESOCC(O)COc1cccc(F)c1F
InChIInChI=1S/C9H10F2O3/c10-7-2-1-3-8(9(7)11)14-5-6(13)4-12/h1-3,6,12-13H,4-5H2
InChIKeyPFBIWTGNOYQSPJ-UHFFFAOYSA-N
XLogP0.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-difluorophenoxy)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

1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
4-[3-(2,3-difluorophenoxy)-2-hydroxypropoxy]benzonitrile
CID 84590436
3-[2-[2-[2-(2,3-dihydroxypropoxy)phenoxy]ethoxy]phenoxy]propane-1,2-diol
CID 24843324
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
CID 20607341
1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
CID 130719015
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)propane-1,2-diol?
The IUPAC name of 3-(2,3-difluorophenoxy)propane-1,2-diol (CID 79838719) is 3-(2,3-difluorophenoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2,3-difluorophenoxy)propane-1,2-diol?
The canonical SMILES for 3-(2,3-difluorophenoxy)propane-1,2-diol is OCC(O)COc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenoxy)propane-1,2-diol?
The InChIKey is PFBIWTGNOYQSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3/c10-7-2-1-3-8(9(7)11)14-5-6(13)4-12/h1-3,6,12-13H,4-5H2.
What are the key properties of 3-(2,3-difluorophenoxy)propane-1,2-diol?
3-(2,3-difluorophenoxy)propane-1,2-diol has a molecular weight of 204.17 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenoxy)propane-1,2-diol is sourced from PubChem (CID 79838719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).