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

C8H13F2NO2 — CID 118883062

IUPAC1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(12)11-3-2-6(4-11)7(13)8(9)10/h6-8,13H,2-4H2,1H3
InChIKeyRMYZQCYUWLBDTF-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.48
Rot. Bonds2

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

1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 118883062) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID118883062
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(O)C(F)F)C1
InChIInChI=1S/C8H13F2NO2/c1-5(12)11-3-2-6(4-11)7(13)8(9)10/h6-8,13H,2-4H2,1H3
InChIKeyRMYZQCYUWLBDTF-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 118883062) is 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(C(O)C(F)F)C1.
What is the InChIKey of 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is RMYZQCYUWLBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(12)11-3-2-6(4-11)7(13)8(9)10/h6-8,13H,2-4H2,1H3.
What are the key properties of 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone?
1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118883062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).