methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate

C15H10F4O3 — CID 22574219

IUPACmethyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1cccc(F)c1F)c1cccc(F)c1F
InChIInChI=1S/C15H10F4O3/c1-22-14(20)15(21,8-4-2-6-10(16)12(8)18)9-5-3-7-11(17)13(9)19/h2-7,21H,1H3
InChIKeyVRLTWCXYOAJVBO-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.65
Rot. Bonds3

About methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate

methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate (PubChem CID 22574219) has the molecular formula C15H10F4O3 and a molecular weight of 314.23 g/mol. Its IUPAC name is methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
PubChem CID22574219
Molecular FormulaC15H10F4O3
Molecular Weight314.23 g/mol
Exact Mass314.06
IUPAC Namemethyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1cccc(F)c1F)c1cccc(F)c1F
InChIInChI=1S/C15H10F4O3/c1-22-14(20)15(21,8-4-2-6-10(16)12(8)18)9-5-3-7-11(17)13(9)19/h2-7,21H,1H3
InChIKeyVRLTWCXYOAJVBO-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
2-(2,3-difluorophenyl)-2-hydroxypropanal
CID 66037904
2-(2,3-difluorophenyl)-N,2-dimethylpropanamide
CID 168736963
methyl 3-(2,6-difluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104643872
1-(2,3-difluorophenyl)-1-(2-methylphenyl)ethanol
CID 63988174
(2,3-difluorophenyl)-phosphanylmethanediol
CID 130314726
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
[1-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010050
methyl 2-(aminomethyl)-3-(2,6-difluorophenyl)-2-methylpropanoate
CID 106487932
2-amino-3-(2,3-difluorophenyl)-2-methyl-3-oxopropanoic acid
CID 68606169
methyl 2-(2-bromophenyl)-2-(3-fluorophenyl)-2-hydroxyacetate
CID 171477875
methyl 2-(2-fluorophenyl)-2-(4-methylanilino)propanoate
CID 60991205

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate (CID 22574219) is methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate is COC(=O)C(O)(c1cccc(F)c1F)c1cccc(F)c1F.
What is the InChIKey of methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate?
The InChIKey is VRLTWCXYOAJVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O3/c1-22-14(20)15(21,8-4-2-6-10(16)12(8)18)9-5-3-7-11(17)13(9)19/h2-7,21H,1H3.
What are the key properties of methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate?
methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate has a molecular weight of 314.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 22574219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).