4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

C8H9F6NO2 — CID 12534588

IUPAC4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESCC(C)C1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C8H9F6NO2/c1-3(2)4-5(16)17-6(15-4,7(9,10)11)8(12,13)14/h3-4,15H,1-2H3
InChIKeyYEXNTQKZSIWFLG-UHFFFAOYSA-N
MW265.15 g/mol
LogP1.98
Rot. Bonds1

About 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one

4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (PubChem CID 12534588) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
PubChem CID12534588
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC Name4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
SMILESCC(C)C1NC(C(F)(F)F)(C(F)(F)F)OC1=O
InChIInChI=1S/C8H9F6NO2/c1-3(2)4-5(16)17-6(15-4,7(9,10)11)8(12,13)14/h3-4,15H,1-2H3
InChIKeyYEXNTQKZSIWFLG-UHFFFAOYSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

t-Butyl [(4s)-2,2-bis(trifluoromethyl)-5-oxo-1,3-oxazolidin-4-yl]acetate
CID 14889135
(4S)-4-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 101079651
2-[(4S)-5-oxo-2,2-bis(trifluoromethyl)-1,3-oxazolidin-4-yl]acetyl fluoride
CID 101369503
(4S)-4-propyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 59097328
(4S)-2,2-Bis(trifluoromethyl)-4beta-(2,2-difluoroethyl)oxazolidin-5-one
CID 59833022
4-Ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-one
CID 70024940
(4S)-4-(2-methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 11022260
(4S)-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 11806655
(4S)-4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 11817943
Methyl 2,2,5,5-tetrakis(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 12035030
4-Methyl-2,2-bis(trifluoromethyl)oxazolidin-5-one
CID 21583255
4-(2-Methylpropyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one
CID 21583256

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The IUPAC name of 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one (CID 12534588) is 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one.
What is the SMILES notation for 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The canonical SMILES for 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is CC(C)C1NC(C(F)(F)F)(C(F)(F)F)OC1=O.
What is the InChIKey of 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
The InChIKey is YEXNTQKZSIWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO2/c1-3(2)4-5(16)17-6(15-4,7(9,10)11)8(12,13)14/h3-4,15H,1-2H3.
What are the key properties of 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one?
4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one has a molecular weight of 265.15 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,2-bis(trifluoromethyl)-1,3-oxazolidin-5-one is sourced from PubChem (CID 12534588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).