methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate

C10H10F2O4 — CID 171863644

IUPACmethyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O4/c1-16-10(15)9(14)8(13)5-3-2-4-6(11)7(5)12/h2-4,8-9,13-14H,1H3
InChIKeyGQEINFAVGHOPNT-UHFFFAOYSA-N
MW232.18 g/mol
LogP0.53
Rot. Bonds3

About methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate

methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate (PubChem CID 171863644) has the molecular formula C10H10F2O4 and a molecular weight of 232.18 g/mol. Its IUPAC name is methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
PubChem CID171863644
Molecular FormulaC10H10F2O4
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Namemethyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O4/c1-16-10(15)9(14)8(13)5-3-2-4-6(11)7(5)12/h2-4,8-9,13-14H,1H3
InChIKeyGQEINFAVGHOPNT-UHFFFAOYSA-N
XLogP0.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863620
methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863884
methyl 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanoate
CID 171863882
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
1-(2,3-difluorophenyl)-2-methoxypropan-1-ol
CID 79617746
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
methyl 3-(5-aminonaphthalen-1-yl)-2,3-dihydroxypropanoate
CID 171864828
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865301

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate (CID 171863644) is methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cccc(F)c1F.
What is the InChIKey of methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate?
The InChIKey is GQEINFAVGHOPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4/c1-16-10(15)9(14)8(13)5-3-2-4-6(11)7(5)12/h2-4,8-9,13-14H,1H3.
What are the key properties of methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate?
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate has a molecular weight of 232.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171863644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).