4-fluoro-1-methylpyrrolidine-3-carbaldehyde

C6H10FNO — CID 76797063

IUPAC4-fluoro-1-methylpyrrolidine-3-carbaldehyde
SMILESCN1CC(F)C(C=O)C1
InChIInChI=1S/C6H10FNO/c1-8-2-5(4-9)6(7)3-8/h4-6H,2-3H2,1H3
InChIKeyGQYFOMZBBOJNAQ-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.09
Rot. Bonds1

About 4-fluoro-1-methylpyrrolidine-3-carbaldehyde

4-fluoro-1-methylpyrrolidine-3-carbaldehyde (PubChem CID 76797063) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoro-1-methylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-1-methylpyrrolidine-3-carbaldehyde
PubChem CID76797063
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name4-fluoro-1-methylpyrrolidine-3-carbaldehyde
SMILESCN1CC(F)C(C=O)C1
InChIInChI=1S/C6H10FNO/c1-8-2-5(4-9)6(7)3-8/h4-6H,2-3H2,1H3
InChIKeyGQYFOMZBBOJNAQ-UHFFFAOYSA-N
XLogP0.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.09
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-methylpyrrolidine-3-carbaldehyde?
The IUPAC name of 4-fluoro-1-methylpyrrolidine-3-carbaldehyde (CID 76797063) is 4-fluoro-1-methylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-1-methylpyrrolidine-3-carbaldehyde?
The canonical SMILES for 4-fluoro-1-methylpyrrolidine-3-carbaldehyde is CN1CC(F)C(C=O)C1.
What is the InChIKey of 4-fluoro-1-methylpyrrolidine-3-carbaldehyde?
The InChIKey is GQYFOMZBBOJNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-8-2-5(4-9)6(7)3-8/h4-6H,2-3H2,1H3.
What are the key properties of 4-fluoro-1-methylpyrrolidine-3-carbaldehyde?
4-fluoro-1-methylpyrrolidine-3-carbaldehyde has a molecular weight of 131.15 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 76797063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).