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

C7H12FNO — CID 67724996

IUPAC1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C7H12FNO/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyUUEPTSRPKLYKNS-RQJHMYQMSA-N
MW145.18 g/mol
LogP0.62
Rot. Bonds1

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

1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 67724996) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone
PubChem CID67724996
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H](F)CN1C
InChIInChI=1S/C7H12FNO/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyUUEPTSRPKLYKNS-RQJHMYQMSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methylpyrrolidin-2-yl)ethanone
CID 22942527
1,5-Dimethylpyrrolidin-3-one
CID 21016055
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone
CID 67727416
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]ethanone
CID 68047194
1-[(2S)-1-methylpyrrolidin-2-yl]ethanone
CID 54471019
2-Fluoro-1-pyrrolidin-2-ylethanone
CID 45080702
1-(4-Fluoro-1-methylpyrrolidin-2-yl)ethanone
CID 57687005
1-[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]ethanone
CID 59215643
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]propan-1-one
CID 67725130
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]propan-1-one
CID 68229528
1-(1-Ethyl-4,4-difluoropyrrolidin-2-yl)propan-1-one
CID 68300270
6,6,6-Trifluoro-3-pyrrolidin-1-ylhexan-2-one
CID 70811159

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone (CID 67724996) is 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1C[C@@H](F)CN1C.
What is the InChIKey of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is UUEPTSRPKLYKNS-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12FNO/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone?
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 145.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 67724996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).