3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one

C16H12F3NO2 — CID 68943449

IUPAC3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C16H12F3NO2/c17-11-2-4-13(15(19)8-11)12-3-1-10(7-14(12)18)9-20-5-6-22-16(20)21/h1-4,7-8H,5-6,9H2
InChIKeyGPDVUPLACNTOJD-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.72
Rot. Bonds3

About 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one

3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 68943449) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID68943449
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C16H12F3NO2/c17-11-2-4-13(15(19)8-11)12-3-1-10(7-14(12)18)9-20-5-6-22-16(20)21/h1-4,7-8H,5-6,9H2
InChIKeyGPDVUPLACNTOJD-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one (CID 68943449) is 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1ccc(-c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is GPDVUPLACNTOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-11-2-4-13(15(19)8-11)12-3-1-10(7-14(12)18)9-20-5-6-22-16(20)21/h1-4,7-8H,5-6,9H2.
What are the key properties of 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one?
3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 307.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-difluorophenyl)-3-fluorophenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68943449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).