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

C10H7F3INO2 — CID 70276257

IUPAC4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1C(I)CON1c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7F3INO2/c11-10(12,13)6-3-1-2-4-8(6)15-9(16)7(14)5-17-15/h1-4,7H,5H2
InChIKeyMHQVHIGALZTYNK-UHFFFAOYSA-N
MW357.07 g/mol
LogP2.79
Rot. Bonds1

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

4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 70276257) has the molecular formula C10H7F3INO2 and a molecular weight of 357.07 g/mol. Its IUPAC name is 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID70276257
Molecular FormulaC10H7F3INO2
Molecular Weight357.07 g/mol
Exact Mass356.95
IUPAC Name4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1C(I)CON1c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7F3INO2/c11-10(12,13)6-3-1-2-4-8(6)15-9(16)7(14)5-17-15/h1-4,7H,5H2
InChIKeyMHQVHIGALZTYNK-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.07
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one (CID 70276257) is 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one is O=C1C(I)CON1c1ccccc1C(F)(F)F.
What is the InChIKey of 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is MHQVHIGALZTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3INO2/c11-10(12,13)6-3-1-2-4-8(6)15-9(16)7(14)5-17-15/h1-4,7H,5H2.
What are the key properties of 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one?
4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 357.07 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[2-(trifluoromethyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 70276257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).