4-fluoro-1-formylpyrrolidine-2-carbonitrile

C6H7FN2O — CID 89220337

IUPAC4-fluoro-1-formylpyrrolidine-2-carbonitrile
SMILESN#CC1CC(F)CN1C=O
InChIInChI=1S/C6H7FN2O/c7-5-1-6(2-8)9(3-5)4-10/h4-6H,1,3H2
InChIKeyGNLNLTIUVCCMKL-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.08
Rot. Bonds1

About 4-fluoro-1-formylpyrrolidine-2-carbonitrile

4-fluoro-1-formylpyrrolidine-2-carbonitrile (PubChem CID 89220337) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 4-fluoro-1-formylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1-formylpyrrolidine-2-carbonitrile
PubChem CID89220337
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name4-fluoro-1-formylpyrrolidine-2-carbonitrile
SMILESN#CC1CC(F)CN1C=O
InChIInChI=1S/C6H7FN2O/c7-5-1-6(2-8)9(3-5)4-10/h4-6H,1,3H2
InChIKeyGNLNLTIUVCCMKL-UHFFFAOYSA-N
XLogP0.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-formylpyrrolidine-2-carbonitrile?
The IUPAC name of 4-fluoro-1-formylpyrrolidine-2-carbonitrile (CID 89220337) is 4-fluoro-1-formylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 4-fluoro-1-formylpyrrolidine-2-carbonitrile?
The canonical SMILES for 4-fluoro-1-formylpyrrolidine-2-carbonitrile is N#CC1CC(F)CN1C=O.
What is the InChIKey of 4-fluoro-1-formylpyrrolidine-2-carbonitrile?
The InChIKey is GNLNLTIUVCCMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-5-1-6(2-8)9(3-5)4-10/h4-6H,1,3H2.
What are the key properties of 4-fluoro-1-formylpyrrolidine-2-carbonitrile?
4-fluoro-1-formylpyrrolidine-2-carbonitrile has a molecular weight of 142.13 g/mol, XLogP of 0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-formylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 89220337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).