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

C6H7F2NO2 — CID 138738580

IUPAC(2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde
SMILESCN1C(=O)C(F)(F)C[C@@H]1C=O
InChIInChI=1S/C6H7F2NO2/c1-9-4(3-10)2-6(7,8)5(9)11/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyZKUQGPZZMFEIPD-SCSAIBSYSA-N
MW163.12 g/mol
LogP0.05
Rot. Bonds1

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

(2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde (PubChem CID 138738580) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde
PubChem CID138738580
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name(2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde
SMILESCN1C(=O)C(F)(F)C[C@@H]1C=O
InChIInChI=1S/C6H7F2NO2/c1-9-4(3-10)2-6(7,8)5(9)11/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyZKUQGPZZMFEIPD-SCSAIBSYSA-N
XLogP0.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.05
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)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde?
The IUPAC name of (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde (CID 138738580) is (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde is CN1C(=O)C(F)(F)C[C@@H]1C=O.
What is the InChIKey of (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde?
The InChIKey is ZKUQGPZZMFEIPD-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c1-9-4(3-10)2-6(7,8)5(9)11/h3-4H,2H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde?
(2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde has a molecular weight of 163.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 138738580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).