ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate

C14H15F2NO5 — CID 155671088

IUPACethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(N2CCOC2=O)cc1OC
InChIInChI=1S/C14H15F2NO5/c1-3-21-12(18)14(15,16)10-5-4-9(8-11(10)20-2)17-6-7-22-13(17)19/h4-5,8H,3,6-7H2,1-2H3
InChIKeyZMZUBTXINRKWIM-UHFFFAOYSA-N
MW315.27 g/mol
LogP2.31
Rot. Bonds5

About ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate

ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate (PubChem CID 155671088) has the molecular formula C14H15F2NO5 and a molecular weight of 315.27 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate
PubChem CID155671088
Molecular FormulaC14H15F2NO5
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Nameethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate
SMILESCCOC(=O)C(F)(F)c1ccc(N2CCOC2=O)cc1OC
InChIInChI=1S/C14H15F2NO5/c1-3-21-12(18)14(15,16)10-5-4-9(8-11(10)20-2)17-6-7-22-13(17)19/h4-5,8H,3,6-7H2,1-2H3
InChIKeyZMZUBTXINRKWIM-UHFFFAOYSA-N
XLogP2.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate with MolForge

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Related Compounds

3-[3-methoxy-4-(prop-2-ynylamino)phenyl]-1,3-oxazolidin-2-one
CID 171616357
ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
CID 142694824
3-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 46912465
ethyl 2,2-difluoro-2-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)acetate
CID 162398359
3-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 139686883
ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate
CID 130177678
3-(4-hydroxy-3-methoxy-5-methylphenyl)-1,3-oxazolidin-2-one;3-[3-methoxy-4-(methoxymethoxy)-5-methylphenyl]-1,3-oxazolidin-2-one
CID 159140278
ethyl 2,2-difluoro-2-(2,4,5-trimethylphenyl)acetate
CID 64985126
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460277
3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one
CID 53358935

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate?
The IUPAC name of ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate (CID 155671088) is ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate is CCOC(=O)C(F)(F)c1ccc(N2CCOC2=O)cc1OC.
What is the InChIKey of ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate?
The InChIKey is ZMZUBTXINRKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO5/c1-3-21-12(18)14(15,16)10-5-4-9(8-11(10)20-2)17-6-7-22-13(17)19/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate?
ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate has a molecular weight of 315.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate is sourced from PubChem (CID 155671088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).