2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde

C8H6F3NO2 — CID 155753759

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde
SMILESO=CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6-2-1-3-7(12-6)14-5-4-13/h1-4H,5H2
InChIKeyCXGLPBKVNREULE-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.68
Rot. Bonds3

About 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde

2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde (PubChem CID 155753759) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde
PubChem CID155753759
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde
SMILESO=CCOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)6-2-1-3-7(12-6)14-5-4-13/h1-4H,5H2
InChIKeyCXGLPBKVNREULE-UHFFFAOYSA-N
XLogP1.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.68
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-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde (CID 155753759) is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde is O=CCOc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde?
The InChIKey is CXGLPBKVNREULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)6-2-1-3-7(12-6)14-5-4-13/h1-4H,5H2.
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde?
2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde has a molecular weight of 205.13 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde is sourced from PubChem (CID 155753759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).