1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one

C8H13F2NO2 — CID 130611482

IUPAC1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5(12)8(13)11-4-2-3-6(11)7(9)10/h5-7,12H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyIRWDPHLBDACPPO-PRJDIBJQSA-N
MW193.19 g/mol
LogP0.62
Rot. Bonds2

About 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one

1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 130611482) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one
PubChem CID130611482
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one
SMILESCC(O)C(=O)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5(12)8(13)11-4-2-3-6(11)7(9)10/h5-7,12H,2-4H2,1H3/t5?,6-/m1/s1
InChIKeyIRWDPHLBDACPPO-PRJDIBJQSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one 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-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one (CID 130611482) is 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one is CC(O)C(=O)N1CCC[C@@H]1C(F)F.
What is the InChIKey of 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is IRWDPHLBDACPPO-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(12)8(13)11-4-2-3-6(11)7(9)10/h5-7,12H,2-4H2,1H3/t5?,6-/m1/s1.
What are the key properties of 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one?
1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 193.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 130611482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).