3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile

C8H11FN2O2 — CID 130735483

IUPAC3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile
SMILESC[C@@H](O)C(=O)N1CCC(F)(C#N)C1
InChIInChI=1S/C8H11FN2O2/c1-6(12)7(13)11-3-2-8(9,4-10)5-11/h6,12H,2-3,5H2,1H3/t6-,8?/m1/s1
InChIKeyIJHVYDLWPBTMND-XPJFZRNWSA-N
MW186.19 g/mol
LogP-0.17
Rot. Bonds1

About 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile

3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile (PubChem CID 130735483) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile
PubChem CID130735483
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Name3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile
SMILESC[C@@H](O)C(=O)N1CCC(F)(C#N)C1
InChIInChI=1S/C8H11FN2O2/c1-6(12)7(13)11-3-2-8(9,4-10)5-11/h6,12H,2-3,5H2,1H3/t6-,8?/m1/s1
InChIKeyIJHVYDLWPBTMND-XPJFZRNWSA-N
XLogP-0.17
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroacetyl)-3-fluoropyrrolidine-3-carbonitrile
CID 131084206
1-acetyl-3-fluoropyrrolidine-3-carbonitrile
CID 126758837
N-[1-(3-cyano-3-fluoropyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 123834584
3-cyano-3-fluoro-N,N-dimethylpyrrolidine-1-carboxamide
CID 126992140
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
2-hydroxy-1-[3-methyl-3-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 123299254
(2S)-1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-2-hydroxypropan-1-one
CID 129270616
3-fluoro-1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 131134151
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
[(4S)-3,3-difluoro-1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl] hypoiodite
CID 121246905
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
CID 130635624

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile?
The IUPAC name of 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile (CID 130735483) is 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile?
The canonical SMILES for 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile is C[C@@H](O)C(=O)N1CCC(F)(C#N)C1.
What is the InChIKey of 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile?
The InChIKey is IJHVYDLWPBTMND-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-6(12)7(13)11-3-2-8(9,4-10)5-11/h6,12H,2-3,5H2,1H3/t6-,8?/m1/s1.
What are the key properties of 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile?
3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile has a molecular weight of 186.19 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(2R)-2-hydroxypropanoyl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 130735483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).