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

C12H14FNO2 — CID 13192572

IUPAC2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccccc2F)C1=O
InChIInChI=1S/C12H14FNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyRYHDSHNABXKNSQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.13
Rot. Bonds2

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

2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (PubChem CID 13192572) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID13192572
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccccc2F)C1=O
InChIInChI=1S/C12H14FNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKeyRYHDSHNABXKNSQ-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one (CID 13192572) is 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is CC1(C)CON(Cc2ccccc2F)C1=O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is RYHDSHNABXKNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one?
2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 223.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 13192572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).