1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one

C9H16FNO2 — CID 126991362

IUPAC1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC1(F)CCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,13)7(12)11-5-4-9(3,10)6-11/h13H,4-6H2,1-3H3
InChIKeyPJOKCFNRMHDZAI-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.72
Rot. Bonds1

About 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one

1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 126991362) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID126991362
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC1(F)CCN(C(=O)C(C)(C)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,13)7(12)11-5-4-9(3,10)6-11/h13H,4-6H2,1-3H3
InChIKeyPJOKCFNRMHDZAI-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

2-Hydroxy-2-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 15541572
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 72002115
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 60342336
[3-(Fluoromethyl)-4-methylpyrrolidin-1-yl]-(1-hydroxycyclopropyl)methanone
CID 68350250
[(3R,4S)-3-(fluoromethyl)-4-methylpyrrolidin-1-yl]-(1-hydroxycyclopropyl)methanone
CID 117883350
3-(3,3-Dimethylbut-1-ynyl)-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117916101
4-Fluoro-3-hydroxy-1-methyl-3-prop-1-ynylpyrrolidin-2-one
CID 117919177
3-But-1-ynyl-4-fluoro-3-hydroxy-1-methylpyrrolidin-2-one
CID 117937940
3,3,3-trifluoro-1-[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 139364759
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 143704007
3,3,3-Trifluoro-2-hydroxy-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 143704226
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-[(3S)-3-methylpyrrolidin-1-yl]propan-1-one
CID 143704682

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 126991362) is 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one is CC1(F)CCN(C(=O)C(C)(C)O)C1.
What is the InChIKey of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is PJOKCFNRMHDZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-8(2,13)7(12)11-5-4-9(3,10)6-11/h13H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 126991362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).