1-(3,5-difluorophenyl)propane-1,2,3-triol

C9H10F2O3 — CID 170817451

IUPAC1-(3,5-difluorophenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H10F2O3/c10-6-1-5(2-7(11)3-6)9(14)8(13)4-12/h1-3,8-9,12-14H,4H2
InChIKeyXUNFOVRSVOBFFF-UHFFFAOYSA-N
MW204.17 g/mol
LogP0.35
Rot. Bonds3

About 1-(3,5-difluorophenyl)propane-1,2,3-triol

1-(3,5-difluorophenyl)propane-1,2,3-triol (PubChem CID 170817451) has the molecular formula C9H10F2O3 and a molecular weight of 204.17 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)propane-1,2,3-triol
PubChem CID170817451
Molecular FormulaC9H10F2O3
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC Name1-(3,5-difluorophenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H10F2O3/c10-6-1-5(2-7(11)3-6)9(14)8(13)4-12/h1-3,8-9,12-14H,4H2
InChIKeyXUNFOVRSVOBFFF-UHFFFAOYSA-N
XLogP0.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(3,5-difluorophenyl)butane-1,2-diol
CID 171893381
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(3,5-difluorophenyl)methanediol
CID 142893041
ethyl 4-(3,5-difluorophenyl)-3,4-dihydroxybutanoate
CID 171896963
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
1-(2,3-diamino-5-fluorophenyl)propane-1,2,3-triol
CID 170817825
1-(3,4-diamino-5-methylphenyl)propane-1,2,3-triol
CID 170817836
1-(3-amino-5-fluorophenyl)-4-bromobutane-1,2-diol
CID 171891706
1-(3-chloro-5-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817813
1-(3,5-difluorophenyl)-2,2-diethoxyethanol
CID 79496044
1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
CID 170817493

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)propane-1,2,3-triol?
The IUPAC name of 1-(3,5-difluorophenyl)propane-1,2,3-triol (CID 170817451) is 1-(3,5-difluorophenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3,5-difluorophenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3,5-difluorophenyl)propane-1,2,3-triol is OCC(O)C(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)propane-1,2,3-triol?
The InChIKey is XUNFOVRSVOBFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3/c10-6-1-5(2-7(11)3-6)9(14)8(13)4-12/h1-3,8-9,12-14H,4H2.
What are the key properties of 1-(3,5-difluorophenyl)propane-1,2,3-triol?
1-(3,5-difluorophenyl)propane-1,2,3-triol has a molecular weight of 204.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).