5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C12H12F3NO2 — CID 175307189

IUPAC5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)NC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c1-11(2)9(16-10(17)18-11)7-3-5-8(6-4-7)12(13,14)15/h3-6,9H,1-2H3,(H,16,17)
InChIKeyFLUXAQMKEWENFI-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.26
Rot. Bonds1

About 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 175307189) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID175307189
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)NC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO2/c1-11(2)9(16-10(17)18-11)7-3-5-8(6-4-7)12(13,14)15/h3-6,9H,1-2H3,(H,16,17)
InChIKeyFLUXAQMKEWENFI-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[4-[tert-butyl(dimethyl)silyl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 175445190
(4R)-4-(4-ethynylphenyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 170329281
(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69224006
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4R)-4-[3,5-bis(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171187555
5-[4-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 140521253
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662
(4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186815
4-methyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-oxazole
CID 162605012
(4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione
CID 58007039
2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
CID 83397527
4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
CID 91215851

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 175307189) is 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is CC1(C)OC(=O)NC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is FLUXAQMKEWENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-11(2)9(16-10(17)18-11)7-3-5-8(6-4-7)12(13,14)15/h3-6,9H,1-2H3,(H,16,17).
What are the key properties of 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 259.23 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 175307189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).