3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile

C8H13FN2 — CID 131085932

IUPAC3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)N1CCC(F)(C#N)C1
InChIInChI=1S/C8H13FN2/c1-7(2)11-4-3-8(9,5-10)6-11/h7H,3-4,6H2,1-2H3
InChIKeyGOGVLERZDKKUGF-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.33
Rot. Bonds1

About 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile

3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile (PubChem CID 131085932) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile
PubChem CID131085932
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile
SMILESCC(C)N1CCC(F)(C#N)C1
InChIInChI=1S/C8H13FN2/c1-7(2)11-4-3-8(9,5-10)6-11/h7H,3-4,6H2,1-2H3
InChIKeyGOGVLERZDKKUGF-UHFFFAOYSA-N
XLogP1.33
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile?
The IUPAC name of 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile (CID 131085932) is 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile?
The canonical SMILES for 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile is CC(C)N1CCC(F)(C#N)C1.
What is the InChIKey of 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile?
The InChIKey is GOGVLERZDKKUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-7(2)11-4-3-8(9,5-10)6-11/h7H,3-4,6H2,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile?
3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile has a molecular weight of 156.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 131085932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).