1-(2,2-difluoroethyl)azetidine-2-carbaldehyde

C6H9F2NO — CID 84649247

IUPAC1-(2,2-difluoroethyl)azetidine-2-carbaldehyde
SMILESO=CC1CCN1CC(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)3-9-2-1-5(9)4-10/h4-6H,1-3H2
InChIKeyADFZEYKCEYBOCG-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.52
Rot. Bonds3

About 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde

1-(2,2-difluoroethyl)azetidine-2-carbaldehyde (PubChem CID 84649247) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)azetidine-2-carbaldehyde
PubChem CID84649247
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name1-(2,2-difluoroethyl)azetidine-2-carbaldehyde
SMILESO=CC1CCN1CC(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)3-9-2-1-5(9)4-10/h4-6H,1-3H2
InChIKeyADFZEYKCEYBOCG-UHFFFAOYSA-N
XLogP0.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.52
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

(2S)-1-(2-fluoroethyl)azetidine-2-carbaldehyde
CID 175419766
1-(2-Fluoroethyl)azetidine-2-carbaldehyde
CID 175419767
1-(3,3-Difluoropropyl)azetidine-2-carbaldehyde
CID 84651511
1-(2,2,2-Trifluoroethyl)azetidine-2-carbaldehyde
CID 84652562
1-(3,3,3-Trifluoropropyl)azetidine-2-carbaldehyde
CID 84657697
2,2-Difluoro-2-(1-propan-2-ylazetidin-3-yl)acetaldehyde
CID 105436768
1-Propan-2-ylazetidine-2-carbaldehyde
CID 22016558
1-Methylazetidine-2-carbaldehyde
CID 22016574
1-Ethylazetidine-2-carbaldehyde
CID 22132183
(2R)-1-methylazetidine-2-carbaldehyde
CID 54239565
(2S)-1-methylazetidine-2-carbaldehyde
CID 149492949

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde?
The IUPAC name of 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde (CID 84649247) is 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde.
What is the SMILES notation for 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde?
The canonical SMILES for 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde is O=CC1CCN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde?
The InChIKey is ADFZEYKCEYBOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)3-9-2-1-5(9)4-10/h4-6H,1-3H2.
What are the key properties of 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde?
1-(2,2-difluoroethyl)azetidine-2-carbaldehyde has a molecular weight of 149.14 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)azetidine-2-carbaldehyde is sourced from PubChem (CID 84649247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).