2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

C8H13F2NO2 — CID 103515729

IUPAC2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-13-5-6-2-3-11(4-6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeySKNAYJBIFUMRBK-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.75
Rot. Bonds3

About 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone

2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 103515729) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID103515729
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-13-5-6-2-3-11(4-6)8(12)7(9)10/h6-7H,2-5H2,1H3
InChIKeySKNAYJBIFUMRBK-UHFFFAOYSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 103515729) is 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is COCC1CCN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SKNAYJBIFUMRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-13-5-6-2-3-11(4-6)8(12)7(9)10/h6-7H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone?
2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 103515729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).