1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone

C8H13F2NO — CID 121366658

IUPAC1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone
SMILESCC[C@@H]1CC(F)(F)CN1C(C)=O
InChIInChI=1S/C8H13F2NO/c1-3-7-4-8(9,10)5-11(7)6(2)12/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyBRKKOKLVMBCNNA-SSDOTTSWSA-N
MW177.19 g/mol
LogP1.65
Rot. Bonds1

About 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone

1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone (PubChem CID 121366658) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone
PubChem CID121366658
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone
SMILESCC[C@@H]1CC(F)(F)CN1C(C)=O
InChIInChI=1S/C8H13F2NO/c1-3-7-4-8(9,10)5-11(7)6(2)12/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyBRKKOKLVMBCNNA-SSDOTTSWSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-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-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone (CID 121366658) is 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone is CC[C@@H]1CC(F)(F)CN1C(C)=O.
What is the InChIKey of 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone?
The InChIKey is BRKKOKLVMBCNNA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-3-7-4-8(9,10)5-11(7)6(2)12/h7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone?
1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone has a molecular weight of 177.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethyl-4,4-difluoropyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121366658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).