2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde

C7H11F2NO — CID 105432004

IUPAC2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
SMILESCN1CCC(C(F)(F)C=O)C1
InChIInChI=1S/C7H11F2NO/c1-10-3-2-6(4-10)7(8,9)5-11/h5-6H,2-4H2,1H3
InChIKeyHWMPDXJWUVIKSF-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.77
Rot. Bonds2

About 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde

2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde (PubChem CID 105432004) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
PubChem CID105432004
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
SMILESCN1CCC(C(F)(F)C=O)C1
InChIInChI=1S/C7H11F2NO/c1-10-3-2-6(4-10)7(8,9)5-11/h5-6H,2-4H2,1H3
InChIKeyHWMPDXJWUVIKSF-UHFFFAOYSA-N
XLogP0.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

(3R)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 176059997
1-(2,2-Difluoroethyl)pyrrolidine-3-carbaldehyde
CID 84651508
1-(2,2-Difluoropropyl)pyrrolidine-3-carbaldehyde
CID 84655878
2-[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]acetaldehyde
CID 84655880
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695
2-[1-(2,2-Difluoropropyl)pyrrolidin-3-yl]acetaldehyde
CID 84663159
1-(3,3-Difluorobutyl)pyrrolidine-3-carbaldehyde
CID 84663164
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-Difluorobutyl)pyrrolidin-3-yl]acetaldehyde
CID 84673169
2-[1-(3,3,3-Trifluoropropyl)pyrrolidin-3-yl]acetaldehyde
CID 84676629
2-Fluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde
CID 105428771

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
The IUPAC name of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde (CID 105432004) is 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde is CN1CCC(C(F)(F)C=O)C1.
What is the InChIKey of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
The InChIKey is HWMPDXJWUVIKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-10-3-2-6(4-10)7(8,9)5-11/h5-6H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde?
2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde has a molecular weight of 163.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methylpyrrolidin-3-yl)acetaldehyde is sourced from PubChem (CID 105432004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).