3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C12H9F4NO3 — CID 162538048

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H9F4NO3/c1-11(2)9(18)17(10(19)20-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3
InChIKeyNQKYBRKGGMQTFM-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.11
Rot. Bonds1

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 162538048) has the molecular formula C12H9F4NO3 and a molecular weight of 291.20 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID162538048
Molecular FormulaC12H9F4NO3
Molecular Weight291.20 g/mol
Exact Mass291.05
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O
InChIInChI=1S/C12H9F4NO3/c1-11(2)9(18)17(10(19)20-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3
InChIKeyNQKYBRKGGMQTFM-UHFFFAOYSA-N
XLogP3.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 162538048) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(c2ccc(F)c(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is NQKYBRKGGMQTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4NO3/c1-11(2)9(18)17(10(19)20-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 291.20 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 162538048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).