4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione

C6H8FNO3 — CID 169180840

IUPAC4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione
SMILESCC(C)(F)C1NC(=O)OC1=O
InChIInChI=1S/C6H8FNO3/c1-6(2,7)3-4(9)11-5(10)8-3/h3H,1-2H3,(H,8,10)
InChIKeyOWDDZMMZUAJQFY-UHFFFAOYSA-N
MW161.13 g/mol
LogP0.37
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione

4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione (PubChem CID 169180840) has the molecular formula C6H8FNO3 and a molecular weight of 161.13 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione
PubChem CID169180840
Molecular FormulaC6H8FNO3
Molecular Weight161.13 g/mol
Exact Mass161.05
IUPAC Name4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione
SMILESCC(C)(F)C1NC(=O)OC1=O
InChIInChI=1S/C6H8FNO3/c1-6(2,7)3-4(9)11-5(10)8-3/h3H,1-2H3,(H,8,10)
InChIKeyOWDDZMMZUAJQFY-UHFFFAOYSA-N
XLogP0.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione (CID 169180840) is 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione is CC(C)(F)C1NC(=O)OC1=O.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione?
The InChIKey is OWDDZMMZUAJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO3/c1-6(2,7)3-4(9)11-5(10)8-3/h3H,1-2H3,(H,8,10).
What are the key properties of 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione?
4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione has a molecular weight of 161.13 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 169180840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).