(2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one

C9H16FNO2 — CID 45080858

IUPAC(2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one
SMILESCC[C@H](O)[C@@H](F)C(=O)N1CCCC1
InChIInChI=1S/C9H16FNO2/c1-2-7(12)8(10)9(13)11-5-3-4-6-11/h7-8,12H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyWAONODQLNCEWSW-JGVFFNPUSA-N
MW189.23 g/mol
LogP0.72
Rot. Bonds3

About (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one

(2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 45080858) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one
PubChem CID45080858
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one
SMILESCC[C@H](O)[C@@H](F)C(=O)N1CCCC1
InChIInChI=1S/C9H16FNO2/c1-2-7(12)8(10)9(13)11-5-3-4-6-11/h7-8,12H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyWAONODQLNCEWSW-JGVFFNPUSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 10845219
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CID 25219711
1-piperidin-1-yl-2-sulfanylbutan-1-one
CID 131177063
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
(2R)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 124582793
2,3-dihydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 130148123
[(1S)-1-hydroxypropyl] pyrrolidine-1-carboxylate
CID 175255491
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one (CID 45080858) is (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one is CC[C@H](O)[C@@H](F)C(=O)N1CCCC1.
What is the InChIKey of (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is WAONODQLNCEWSW-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-7(12)8(10)9(13)11-5-3-4-6-11/h7-8,12H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one?
(2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-fluoro-3-hydroxy-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 45080858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).