3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one

C6H8F3NO2 — CID 144814207

IUPAC3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-2-10-4(6(7,8)9)3-12-5(10)11/h4H,2-3H2,1H3
InChIKeyFWWIIIZLMJDOSA-UHFFFAOYSA-N
MW183.13 g/mol
LogP1.39
Rot. Bonds1

About 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one

3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 144814207) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one
PubChem CID144814207
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one
SMILESCCN1C(=O)OCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c1-2-10-4(6(7,8)9)3-12-5(10)11/h4H,2-3H2,1H3
InChIKeyFWWIIIZLMJDOSA-UHFFFAOYSA-N
XLogP1.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one (CID 144814207) is 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one is CCN1C(=O)OCC1C(F)(F)F.
What is the InChIKey of 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is FWWIIIZLMJDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-2-10-4(6(7,8)9)3-12-5(10)11/h4H,2-3H2,1H3.
What are the key properties of 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one?
3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 183.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(trifluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 144814207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).