1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone

C6H10FNO2 — CID 122536254

IUPAC1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C6H10FNO2/c1-4(9)8-2-5(7)6(10)3-8/h5-6,10H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeySXSREWCLAPOCDH-PHDIDXHHSA-N
MW147.15 g/mol
LogP-0.45
Rot. Bonds

About 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone

1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone (PubChem CID 122536254) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
PubChem CID122536254
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C6H10FNO2/c1-4(9)8-2-5(7)6(10)3-8/h5-6,10H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeySXSREWCLAPOCDH-PHDIDXHHSA-N
XLogP-0.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-1-methylpyrrolidin-2-one
CID 10313118
(2S)-2-hydroxy-1-(1-pyrrolidinyl)-1-propanone
CID 11051776
1-(2-Hydroxypropyl)pyrrolidin-2-one
CID 21718835
1-(3-Hydroxypyrrolidin-1-yl)ethanone
CID 10197700
Acetamide, N-methyl-N-[4-(3-hydroxypyrrolidinyl)-2-butynyl]-
CID 536669
(3R)-3-hydroxy-1-methyl-pyrrolidin-2-one
CID 69033113
(R)-1-Acetyl-3-pyrrolidinol
CID 10486876
(2R)-2-hydroxy-1-(pyrrolidin-1-yl)propan-1-one
CID 11194401
1-Methoxycarbonylpyrrolidin-2-ol
CID 14333526
4-Hydroxy-1-methylpyrrolidin-2-one
CID 17811779
1-Ethyl-3-hydroxypyrrolidin-2-one
CID 22726194
1-((3S)-3-Hydroxypyrrolidin-1-yl)ethan-1-one
CID 55267746

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone (CID 122536254) is 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone is CC(=O)N1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone?
The InChIKey is SXSREWCLAPOCDH-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-4(9)8-2-5(7)6(10)3-8/h5-6,10H,2-3H2,1H3/t5-,6-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone?
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone has a molecular weight of 147.15 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 122536254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).