3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one

C12H13F2NO2 — CID 99701699

IUPAC3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1F)N1CCCO1
InChIInChI=1S/C12H13F2NO2/c13-10-4-2-9(11(14)8-10)3-5-12(16)15-6-1-7-17-15/h2,4,8H,1,3,5-7H2
InChIKeyBRAKRAJFAJXSAZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.06
Rot. Bonds3

About 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one

3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 99701699) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one
PubChem CID99701699
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1F)N1CCCO1
InChIInChI=1S/C12H13F2NO2/c13-10-4-2-9(11(14)8-10)3-5-12(16)15-6-1-7-17-15/h2,4,8H,1,3,5-7H2
InChIKeyBRAKRAJFAJXSAZ-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(oxazinan-2-yl)-4-phenylbutan-1-one
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CID 134708050
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CID 167926533
3-(2,4-difluorophenyl)-1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 133123141
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one?
The IUPAC name of 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one (CID 99701699) is 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one is O=C(CCc1ccc(F)cc1F)N1CCCO1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one?
The InChIKey is BRAKRAJFAJXSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-10-4-2-9(11(14)8-10)3-5-12(16)15-6-1-7-17-15/h2,4,8H,1,3,5-7H2.
What are the key properties of 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one?
3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 241.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-(1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 99701699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).