3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one

C13H9F6NO2 — CID 10496252

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C13H9F6NO2/c1-2-10-6-20(11(21)22-10)9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h2-5,10H,1,6H2
InChIKeyRKBKODFKDHEGRJ-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.24
Rot. Bonds2

About 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one

3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one (PubChem CID 10496252) has the molecular formula C13H9F6NO2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one
PubChem CID10496252
Molecular FormulaC13H9F6NO2
Molecular Weight325.21 g/mol
Exact Mass325.05
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C13H9F6NO2/c1-2-10-6-20(11(21)22-10)9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h2-5,10H,1,6H2
InChIKeyRKBKODFKDHEGRJ-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one (CID 10496252) is 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one is C=CC1CN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is RKBKODFKDHEGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6NO2/c1-2-10-6-20(11(21)22-10)9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h2-5,10H,1,6H2.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one?
3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 325.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-5-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10496252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).