5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one

C11H12FNO4S — CID 22757661

IUPAC5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)N1C(=O)OC(CF)C1c1ccccc1
InChIInChI=1S/C11H12FNO4S/c1-18(15,16)13-10(8-5-3-2-4-6-8)9(7-12)17-11(13)14/h2-6,9-10H,7H2,1H3
InChIKeyHAWFKEXIBFDWCV-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.48
Rot. Bonds3

About 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one

5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 22757661) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID22757661
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)N1C(=O)OC(CF)C1c1ccccc1
InChIInChI=1S/C11H12FNO4S/c1-18(15,16)13-10(8-5-3-2-4-6-8)9(7-12)17-11(13)14/h2-6,9-10H,7H2,1H3
InChIKeyHAWFKEXIBFDWCV-UHFFFAOYSA-N
XLogP1.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one (CID 22757661) is 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one is CS(=O)(=O)N1C(=O)OC(CF)C1c1ccccc1.
What is the InChIKey of 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HAWFKEXIBFDWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c1-18(15,16)13-10(8-5-3-2-4-6-8)9(7-12)17-11(13)14/h2-6,9-10H,7H2,1H3.
What are the key properties of 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one?
5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 273.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-methylsulfonyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22757661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).