3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one

C8H11F2NO2 — CID 126997838

IUPAC3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCC(F)(F)C1
InChIInChI=1S/C8H11F2NO2/c9-8(10)2-3-11(5-8)6-1-4-13-7(6)12/h6H,1-5H2
InChIKeyJBUUOABHJPSOSO-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.64
Rot. Bonds1

About 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one

3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one (PubChem CID 126997838) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one
PubChem CID126997838
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCC(F)(F)C1
InChIInChI=1S/C8H11F2NO2/c9-8(10)2-3-11(5-8)6-1-4-13-7(6)12/h6H,1-5H2
InChIKeyJBUUOABHJPSOSO-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one (CID 126997838) is 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one is O=C1OCCC1N1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one?
The InChIKey is JBUUOABHJPSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)2-3-11(5-8)6-1-4-13-7(6)12/h6H,1-5H2.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one?
3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one has a molecular weight of 191.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)oxolan-2-one is sourced from PubChem (CID 126997838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).