2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde

C6H9F2NO — CID 105429249

IUPAC2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde
SMILESO=CC(F)(F)C1CCNC1
InChIInChI=1S/C6H9F2NO/c7-6(8,4-10)5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeyUCMXGWABYRJYHS-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.43
Rot. Bonds2

About 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde

2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde (PubChem CID 105429249) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde
PubChem CID105429249
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde
SMILESO=CC(F)(F)C1CCNC1
InChIInChI=1S/C6H9F2NO/c7-6(8,4-10)5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeyUCMXGWABYRJYHS-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carbaldehyde
CID 89173923
2-(4,4-Difluoropyrrolidin-3-yl)acetamide;hydrochloride
CID 175377016
2-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]acetaldehyde
CID 84655880
2-[1-(3,3-Difluoropropyl)pyrrolidin-3-yl]acetaldehyde
CID 84663166
2-[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]acetaldehyde
CID 84665896
2-[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]acetaldehyde
CID 84676629
2-Fluoro-2-pyrrolidin-3-ylacetaldehyde
CID 105427580
2-Fluoro-3-pyrrolidin-3-ylpropanal
CID 105428766
2,2-Difluoro-3-pyrrolidin-3-ylpropanal
CID 105431999
2,2-Difluoro-2-piperidin-4-ylacetaldehyde
CID 105432002
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
CID 105432004
2,2-Difluoro-2-pyrrolidin-3-ylacetamide
CID 115012896

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde?
The IUPAC name of 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde (CID 105429249) is 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde?
The canonical SMILES for 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde is O=CC(F)(F)C1CCNC1.
What is the InChIKey of 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde?
The InChIKey is UCMXGWABYRJYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8,4-10)5-1-2-9-3-5/h4-5,9H,1-3H2.
What are the key properties of 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde?
2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-pyrrolidin-3-ylacetaldehyde is sourced from PubChem (CID 105429249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).