2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde

C9H9F2NO2 — CID 118255814

IUPAC2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde
SMILESO=CCc1ccc(OCC(F)F)nc1
InChIInChI=1S/C9H9F2NO2/c10-8(11)6-14-9-2-1-7(3-4-13)5-12-9/h1-2,4-5,8H,3,6H2
InChIKeyBEFQLLQUFZCZFV-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.47
Rot. Bonds5

About 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde

2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde (PubChem CID 118255814) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde
PubChem CID118255814
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde
SMILESO=CCc1ccc(OCC(F)F)nc1
InChIInChI=1S/C9H9F2NO2/c10-8(11)6-14-9-2-1-7(3-4-13)5-12-9/h1-2,4-5,8H,3,6H2
InChIKeyBEFQLLQUFZCZFV-UHFFFAOYSA-N
XLogP1.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde?
The IUPAC name of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde (CID 118255814) is 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde is O=CCc1ccc(OCC(F)F)nc1.
What is the InChIKey of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde?
The InChIKey is BEFQLLQUFZCZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-8(11)6-14-9-2-1-7(3-4-13)5-12-9/h1-2,4-5,8H,3,6H2.
What are the key properties of 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde?
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde has a molecular weight of 201.17 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2-difluoroethoxy)-3-pyridinyl]acetaldehyde is sourced from PubChem (CID 118255814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).