3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one

C6H6F3NO3 — CID 134860304

IUPAC3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(F)(F)F)N1CCOC1=O
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)3-4(11)10-1-2-13-5(10)12/h1-3H2
InChIKeyVZHPEDFSBVBQGJ-UHFFFAOYSA-N
MW197.11 g/mol
LogP0.92
Rot. Bonds1

About 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one

3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one (PubChem CID 134860304) has the molecular formula C6H6F3NO3 and a molecular weight of 197.11 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
PubChem CID134860304
Molecular FormulaC6H6F3NO3
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CC(F)(F)F)N1CCOC1=O
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)3-4(11)10-1-2-13-5(10)12/h1-3H2
InChIKeyVZHPEDFSBVBQGJ-UHFFFAOYSA-N
XLogP0.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one (CID 134860304) is 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one is O=C(CC(F)(F)F)N1CCOC1=O.
What is the InChIKey of 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is VZHPEDFSBVBQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO3/c7-6(8,9)3-4(11)10-1-2-13-5(10)12/h1-3H2.
What are the key properties of 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one?
3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 197.11 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 134860304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).