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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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).