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

C11H12FNO2S — CID 14597705

IUPAC4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(C2OC(=O)NC2CF)cc1
InChIInChI=1S/C11H12FNO2S/c1-16-8-4-2-7(3-5-8)10-9(6-12)13-11(14)15-10/h2-5,9-10H,6H2,1H3,(H,13,14)
InChIKeyXDFCRBDIYOJBMA-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds3

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

4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (PubChem CID 14597705) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
PubChem CID14597705
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC Name4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(C2OC(=O)NC2CF)cc1
InChIInChI=1S/C11H12FNO2S/c1-16-8-4-2-7(3-5-8)10-9(6-12)13-11(14)15-10/h2-5,9-10H,6H2,1H3,(H,13,14)
InChIKeyXDFCRBDIYOJBMA-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (CID 14597705) is 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is CSc1ccc(C2OC(=O)NC2CF)cc1.
What is the InChIKey of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is XDFCRBDIYOJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-16-8-4-2-7(3-5-8)10-9(6-12)13-11(14)15-10/h2-5,9-10H,6H2,1H3,(H,13,14).
What are the key properties of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14597705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).