1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone

C7H12FNO — CID 126556739

IUPAC1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](F)[C@H]1C
InChIInChI=1S/C7H12FNO/c1-5-7(8)3-4-9(5)6(2)10/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeySJJWTOUPUWBYKA-IYSWYEEDSA-N
MW145.18 g/mol
LogP0.97
Rot. Bonds

About 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone

1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone (PubChem CID 126556739) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone
PubChem CID126556739
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](F)[C@H]1C
InChIInChI=1S/C7H12FNO/c1-5-7(8)3-4-9(5)6(2)10/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeySJJWTOUPUWBYKA-IYSWYEEDSA-N
XLogP0.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-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,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone (CID 126556739) is 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](F)[C@H]1C.
What is the InChIKey of 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone?
The InChIKey is SJJWTOUPUWBYKA-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5-7(8)3-4-9(5)6(2)10/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone?
1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone has a molecular weight of 145.18 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-fluoro-2-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126556739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).