(5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate

C8H12FNO3 — CID 130694673

IUPAC(5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1CNC(=O)C1
InChIInChI=1S/C8H12FNO3/c1-8(2,9)7(12)13-5-3-6(11)10-4-5/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyWWYCDDSBAFVXMQ-UHFFFAOYSA-N
MW189.19 g/mol
LogP0.17
Rot. Bonds2

About (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate

(5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate (PubChem CID 130694673) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Name(5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate
PubChem CID130694673
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name(5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1CNC(=O)C1
InChIInChI=1S/C8H12FNO3/c1-8(2,9)7(12)13-5-3-6(11)10-4-5/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyWWYCDDSBAFVXMQ-UHFFFAOYSA-N
XLogP0.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate?
The IUPAC name of (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate (CID 130694673) is (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate.
What is the SMILES notation for (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate?
The canonical SMILES for (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate is CC(C)(F)C(=O)OC1CNC(=O)C1.
What is the InChIKey of (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate?
The InChIKey is WWYCDDSBAFVXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-8(2,9)7(12)13-5-3-6(11)10-4-5/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate?
(5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate has a molecular weight of 189.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-3-yl) 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 130694673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).