1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane

C10H19F2NO3 — CID 145052480

IUPAC1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane
SMILESCC.COC1CN(C(=O)C(C)O)CC1(F)F
InChIInChI=1S/C8H13F2NO3.C2H6/c1-5(12)7(13)11-3-6(14-2)8(9,10)4-11;1-2/h5-6,12H,3-4H2,1-2H3;1-2H3
InChIKeyHEBPEDWQXKXHGS-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.89
Rot. Bonds2

About 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane

1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane (PubChem CID 145052480) has the molecular formula C10H19F2NO3 and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane
PubChem CID145052480
Molecular FormulaC10H19F2NO3
Molecular Weight239.26 g/mol
Exact Mass239.13
IUPAC Name1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane
SMILESCC.COC1CN(C(=O)C(C)O)CC1(F)F
InChIInChI=1S/C8H13F2NO3.C2H6/c1-5(12)7(13)11-3-6(14-2)8(9,10)4-11;1-2/h5-6,12H,3-4H2,1-2H3;1-2H3
InChIKeyHEBPEDWQXKXHGS-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane 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-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane?
The IUPAC name of 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane (CID 145052480) is 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane.
What is the SMILES notation for 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane?
The canonical SMILES for 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane is CC.COC1CN(C(=O)C(C)O)CC1(F)F.
What is the InChIKey of 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane?
The InChIKey is HEBPEDWQXKXHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3.C2H6/c1-5(12)7(13)11-3-6(14-2)8(9,10)4-11;1-2/h5-6,12H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane?
1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane has a molecular weight of 239.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxypropan-1-one;ethane is sourced from PubChem (CID 145052480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).