2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one

C9H16FNO2 — CID 130684881

IUPAC2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(F)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H16FNO2/c1-6(2)8(10)9(13)11-4-3-7(12)5-11/h6-8,12H,3-5H2,1-2H3/t7-,8?/m1/s1
InChIKeyOKNNQGZVAFRNRG-GVHYBUMESA-N
MW189.23 g/mol
LogP0.57
Rot. Bonds2

About 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one

2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one (PubChem CID 130684881) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
PubChem CID130684881
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)C(F)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C9H16FNO2/c1-6(2)8(10)9(13)11-4-3-7(12)5-11/h6-8,12H,3-5H2,1-2H3/t7-,8?/m1/s1
InChIKeyOKNNQGZVAFRNRG-GVHYBUMESA-N
XLogP0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 131007907
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;2,2,2-trifluoroacetic acid
CID 66952617
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
(2S)-2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 89061522
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 66262154

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one (CID 130684881) is 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one is CC(C)C(F)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one?
The InChIKey is OKNNQGZVAFRNRG-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16FNO2/c1-6(2)8(10)9(13)11-4-3-7(12)5-11/h6-8,12H,3-5H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one?
2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 130684881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).