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

C10H15F2NO2 — CID 130657354

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCC(F)(F)C1)C1CCOC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)2-3-13(7-10)5-9(14)8-1-4-15-6-8/h8H,1-7H2
InChIKeyOMFAKTQIFYMKAH-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.93
Rot. Bonds3

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

2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 130657354) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone
PubChem CID130657354
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCC(F)(F)C1)C1CCOC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)2-3-13(7-10)5-9(14)8-1-4-15-6-8/h8H,1-7H2
InChIKeyOMFAKTQIFYMKAH-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone (CID 130657354) is 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone is O=C(CN1CCC(F)(F)C1)C1CCOC1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is OMFAKTQIFYMKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)2-3-13(7-10)5-9(14)8-1-4-15-6-8/h8H,1-7H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 219.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 130657354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).