(2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde

C7H9F2NO2 — CID 121384231

IUPAC(2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde
SMILESCCN1C(=O)C(F)(F)C[C@@H]1C=O
InChIInChI=1S/C7H9F2NO2/c1-2-10-5(4-11)3-7(8,9)6(10)12/h4-5H,2-3H2,1H3/t5-/m1/s1
InChIKeyWVVQBOVQRWRKHO-RXMQYKEDSA-N
MW177.15 g/mol
LogP0.44
Rot. Bonds2

About (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde

(2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde (PubChem CID 121384231) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde
PubChem CID121384231
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Name(2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde
SMILESCCN1C(=O)C(F)(F)C[C@@H]1C=O
InChIInChI=1S/C7H9F2NO2/c1-2-10-5(4-11)3-7(8,9)6(10)12/h4-5H,2-3H2,1H3/t5-/m1/s1
InChIKeyWVVQBOVQRWRKHO-RXMQYKEDSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.44
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 (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde?
The IUPAC name of (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde (CID 121384231) is (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde is CCN1C(=O)C(F)(F)C[C@@H]1C=O.
What is the InChIKey of (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde?
The InChIKey is WVVQBOVQRWRKHO-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9F2NO2/c1-2-10-5(4-11)3-7(8,9)6(10)12/h4-5H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde?
(2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde has a molecular weight of 177.15 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-ethyl-4,4-difluoro-5-oxopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 121384231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).