3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione

C12H10F3NO3 — CID 67528883

IUPAC3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)9-3-1-8(2-4-9)5-6-16-10(17)7-19-11(16)18/h1-4H,5-7H2
InChIKeyWIKCNRDOFUODEB-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.23
Rot. Bonds3

About 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione

3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 67528883) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID67528883
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)9-3-1-8(2-4-9)5-6-16-10(17)7-19-11(16)18/h1-4H,5-7H2
InChIKeyWIKCNRDOFUODEB-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Oxazolidinedione, 3-benzyl-
CID 230350
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
(4S)-4-Benzyl-3-(4,4,4-trifluorobutanoyl)-1,3-oxazolidin-2-one
CID 71477692
3-Benzyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 53355704
3-(2-Fluorophenyl)-1-[(2-methoxyethoxy)acetyl]pyrrolidine
CID 70735198
3-[2-Fluoro-4-(trifluoromethyl)benzyl]-1,3-oxazolidin-2-one
CID 72912702
(4S)-4-benzyl-3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
CID 11616218
(4S)-3-(4,4,4-Trifluorocrotonoyl)-4beta-benzyloxazolidine-2-one
CID 10379977

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione (CID 67528883) is 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is WIKCNRDOFUODEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)9-3-1-8(2-4-9)5-6-16-10(17)7-19-11(16)18/h1-4H,5-7H2.
What are the key properties of 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione?
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 273.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 67528883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).