(4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione

C11H10FNO4 — CID 125492127

IUPAC(4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione
SMILESCOc1ccc([C@@]2(C)NC(=O)OC2=O)cc1F
InChIInChI=1S/C11H10FNO4/c1-11(9(14)17-10(15)13-11)6-3-4-8(16-2)7(12)5-6/h3-5H,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyDWYCKRLNIACCIV-LLVKDONJSA-N
MW239.20 g/mol
LogP1.32
Rot. Bonds2

About (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione

(4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione (PubChem CID 125492127) has the molecular formula C11H10FNO4 and a molecular weight of 239.20 g/mol. Its IUPAC name is (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione
PubChem CID125492127
Molecular FormulaC11H10FNO4
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name(4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione
SMILESCOc1ccc([C@@]2(C)NC(=O)OC2=O)cc1F
InChIInChI=1S/C11H10FNO4/c1-11(9(14)17-10(15)13-11)6-3-4-8(16-2)7(12)5-6/h3-5H,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyDWYCKRLNIACCIV-LLVKDONJSA-N
XLogP1.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
2-(3-fluoro-4-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389721
(4S)-4-(3-fluoro-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186348
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 2564712
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
(4R)-5,5-difluoro-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187840
(5R)-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7546173
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
5-(3,4-dimethoxyphenyl)-3-ethyl-5-methylimidazolidine-2,4-dione
CID 42915163
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione (CID 125492127) is (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione is COc1ccc([C@@]2(C)NC(=O)OC2=O)cc1F.
What is the InChIKey of (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione?
The InChIKey is DWYCKRLNIACCIV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10FNO4/c1-11(9(14)17-10(15)13-11)6-3-4-8(16-2)7(12)5-6/h3-5H,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione?
(4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione has a molecular weight of 239.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluoro-4-methoxyphenyl)-4-methyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 125492127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).