2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione

C12H12FNO3 — CID 12811050

IUPAC2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione
SMILESCC1(C)C(=O)ON(Cc2ccccc2F)C1=O
InChIInChI=1S/C12H12FNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeyDAAIZXGEHWKMNP-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.65
Rot. Bonds2

About 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione

2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione (PubChem CID 12811050) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione
PubChem CID12811050
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione
SMILESCC1(C)C(=O)ON(Cc2ccccc2F)C1=O
InChIInChI=1S/C12H12FNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeyDAAIZXGEHWKMNP-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione (CID 12811050) is 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione is CC1(C)C(=O)ON(Cc2ccccc2F)C1=O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
The InChIKey is DAAIZXGEHWKMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione?
2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione has a molecular weight of 237.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine-3,5-dione is sourced from PubChem (CID 12811050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).