3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde

C15H8F6O — CID 134617334

IUPAC3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F6O/c16-14(17,18)12-4-2-1-3-10(12)11-6-5-9(8-22)7-13(11)15(19,20)21/h1-8H
InChIKeyARJXXDFMSTUWGR-UHFFFAOYSA-N
MW318.22 g/mol
LogP5.20
Rot. Bonds2

About 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde

3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 134617334) has the molecular formula C15H8F6O and a molecular weight of 318.22 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID134617334
Molecular FormulaC15H8F6O
Molecular Weight318.22 g/mol
Exact Mass318.05
IUPAC Name3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F6O/c16-14(17,18)12-4-2-1-3-10(12)11-6-5-9(8-22)7-13(11)15(19,20)21/h1-8H
InChIKeyARJXXDFMSTUWGR-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.22
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde (CID 134617334) is 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccccc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is ARJXXDFMSTUWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6O/c16-14(17,18)12-4-2-1-3-10(12)11-6-5-9(8-22)7-13(11)15(19,20)21/h1-8H.
What are the key properties of 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde?
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 318.22 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 134617334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).