1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde

C7H11F2NO — CID 84651508

IUPAC1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(CC(F)F)C1
InChIInChI=1S/C7H11F2NO/c8-7(9)4-10-2-1-6(3-10)5-11/h5-7H,1-4H2
InChIKeyJNHPHYGZEPATPY-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.77
Rot. Bonds3

About 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde

1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde (PubChem CID 84651508) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde
PubChem CID84651508
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(CC(F)F)C1
InChIInChI=1S/C7H11F2NO/c8-7(9)4-10-2-1-6(3-10)5-11/h5-7H,1-4H2
InChIKeyJNHPHYGZEPATPY-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.77
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 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde (CID 84651508) is 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde is O=CC1CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde?
The InChIKey is JNHPHYGZEPATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)4-10-2-1-6(3-10)5-11/h5-7H,1-4H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde?
1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde has a molecular weight of 163.17 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 84651508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).