2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde

C8H13F2NO — CID 84655882

IUPAC2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde
SMILESO=CCC1CCCN1CC(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)6-11-4-1-2-7(11)3-5-12/h5,7-8H,1-4,6H2
InChIKeyWJGJORYQPBKTGV-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.30
Rot. Bonds4

About 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde

2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde (PubChem CID 84655882) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde
PubChem CID84655882
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde
SMILESO=CCC1CCCN1CC(F)F
InChIInChI=1S/C8H13F2NO/c9-8(10)6-11-4-1-2-7(11)3-5-12/h5,7-8H,1-4,6H2
InChIKeyWJGJORYQPBKTGV-UHFFFAOYSA-N
XLogP1.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
2-[1-(2,2-difluoroethyl)piperidin-2-yl]acetic acid
CID 61010421
1-(2,2-difluoroethyl)azepane-2-carbaldehyde
CID 84663152
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
CID 145338634
1-(2,2-difluoroethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 130841053
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
2-ethyl-1-(2-fluoropropyl)pyrrolidine
CID 177053751
2-[4-(2,2-difluoroethyl)thiomorpholin-3-yl]acetic acid
CID 66445733
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol
CID 163270154
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888
2-[1-(3,3-difluorobutyl)azetidin-2-yl]acetaldehyde
CID 84663167

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde (CID 84655882) is 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde is O=CCC1CCCN1CC(F)F.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde?
The InChIKey is WJGJORYQPBKTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)6-11-4-1-2-7(11)3-5-12/h5,7-8H,1-4,6H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde?
2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde has a molecular weight of 177.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde is sourced from PubChem (CID 84655882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).