1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone

C9H16F2N2O2 — CID 103513954

IUPAC1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone
SMILESCN(C)CC1CC(O)CN1C(=O)C(F)F
InChIInChI=1S/C9H16F2N2O2/c1-12(2)4-6-3-7(14)5-13(6)9(15)8(10)11/h6-8,14H,3-5H2,1-2H3
InChIKeyUQOMLPBMDJJIDF-UHFFFAOYSA-N
MW222.23 g/mol
LogP-0.23
Rot. Bonds3

About 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone (PubChem CID 103513954) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone
PubChem CID103513954
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone
SMILESCN(C)CC1CC(O)CN1C(=O)C(F)F
InChIInChI=1S/C9H16F2N2O2/c1-12(2)4-6-3-7(14)5-13(6)9(15)8(10)11/h6-8,14H,3-5H2,1-2H3
InChIKeyUQOMLPBMDJJIDF-UHFFFAOYSA-N
XLogP-0.23
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone 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-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone (CID 103513954) is 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone is CN(C)CC1CC(O)CN1C(=O)C(F)F.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone?
The InChIKey is UQOMLPBMDJJIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-12(2)4-6-3-7(14)5-13(6)9(15)8(10)11/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone?
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone has a molecular weight of 222.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,2-difluoroethanone is sourced from PubChem (CID 103513954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).