2-(2,4,6-trifluoroanilino)acetaldehyde

C8H6F3NO — CID 168941947

IUPAC2-(2,4,6-trifluoroanilino)acetaldehyde
SMILESO=CCNc1c(F)cc(F)cc1F
InChIInChI=1S/C8H6F3NO/c9-5-3-6(10)8(7(11)4-5)12-1-2-13/h2-4,12H,1H2
InChIKeyWSKPEAZQIVCKOA-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.71
Rot. Bonds3

About 2-(2,4,6-trifluoroanilino)acetaldehyde

2-(2,4,6-trifluoroanilino)acetaldehyde (PubChem CID 168941947) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(2,4,6-trifluoroanilino)acetaldehyde.

Molecular Properties

Compound Name2-(2,4,6-trifluoroanilino)acetaldehyde
PubChem CID168941947
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name2-(2,4,6-trifluoroanilino)acetaldehyde
SMILESO=CCNc1c(F)cc(F)cc1F
InChIInChI=1S/C8H6F3NO/c9-5-3-6(10)8(7(11)4-5)12-1-2-13/h2-4,12H,1H2
InChIKeyWSKPEAZQIVCKOA-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,4,6-trifluoroanilino)acetaldehyde?
The IUPAC name of 2-(2,4,6-trifluoroanilino)acetaldehyde (CID 168941947) is 2-(2,4,6-trifluoroanilino)acetaldehyde.
What is the SMILES notation for 2-(2,4,6-trifluoroanilino)acetaldehyde?
The canonical SMILES for 2-(2,4,6-trifluoroanilino)acetaldehyde is O=CCNc1c(F)cc(F)cc1F.
What is the InChIKey of 2-(2,4,6-trifluoroanilino)acetaldehyde?
The InChIKey is WSKPEAZQIVCKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-5-3-6(10)8(7(11)4-5)12-1-2-13/h2-4,12H,1H2.
What are the key properties of 2-(2,4,6-trifluoroanilino)acetaldehyde?
2-(2,4,6-trifluoroanilino)acetaldehyde has a molecular weight of 189.14 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trifluoroanilino)acetaldehyde is sourced from PubChem (CID 168941947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).