1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone

C7H11F2NO — CID 59215643

IUPAC1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C7H11F2NO/c1-5(11)6-3-7(8,9)4-10(6)2/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyKUSCKKZFMPJEDS-LURJTMIESA-N
MW163.17 g/mol
LogP0.91
Rot. Bonds1

About 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone

1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 59215643) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone
PubChem CID59215643
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C7H11F2NO/c1-5(11)6-3-7(8,9)4-10(6)2/h6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyKUSCKKZFMPJEDS-LURJTMIESA-N
XLogP0.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methylpyrrolidin-2-yl)ethanone
CID 22942527
1-[(2S)-1-methylpyrrolidin-2-yl]ethanone
CID 54471019
2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 18642602
1-(1-Acetyl-4,4-difluoropyrrolidin-2-yl)ethanone
CID 21015975
1-(4,4-Difluoropyrrolidin-2-yl)ethanone
CID 21016049
2,2,2-Trifluoro-1-pyrrolidin-2-ylethanone
CID 22150430
1-(2-Acetylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 22973135
1-(4-Fluoro-1-methylpyrrolidin-2-yl)ethanone
CID 57687005
1-[(2S)-4,4-difluoropyrrolidin-2-yl]ethanone
CID 58605233
1-[(2S)-1-acetyl-4,4-difluoropyrrolidin-2-yl]ethanone
CID 58606335
1-[(2S)-4,4-difluoro-1,3,3-trimethylpyrrolidin-2-yl]ethanone
CID 58805275
1-[(2S)-2-acetylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 59041040

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone (CID 59215643) is 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CC(F)(F)CN1C.
What is the InChIKey of 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is KUSCKKZFMPJEDS-LURJTMIESA-N. The full InChI is InChI=1S/C7H11F2NO/c1-5(11)6-3-7(8,9)4-10(6)2/h6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone?
1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 163.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59215643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).