4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde

C15H8F4O2 — CID 90872795

IUPAC4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde
SMILESO=Cc1ccc(F)cc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F4O2/c16-10-6-5-9(8-20)12(7-10)14(21)11-3-1-2-4-13(11)15(17,18)19/h1-8H
InChIKeyDASYZMSPXDCCCQ-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.89
Rot. Bonds3

About 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde

4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde (PubChem CID 90872795) has the molecular formula C15H8F4O2 and a molecular weight of 296.22 g/mol. Its IUPAC name is 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde
PubChem CID90872795
Molecular FormulaC15H8F4O2
Molecular Weight296.22 g/mol
Exact Mass296.05
IUPAC Name4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde
SMILESO=Cc1ccc(F)cc1C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F4O2/c16-10-6-5-9(8-20)12(7-10)14(21)11-3-1-2-4-13(11)15(17,18)19/h1-8H
InChIKeyDASYZMSPXDCCCQ-UHFFFAOYSA-N
XLogP3.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.89
H-Bond Donors ≤ 50
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 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde?
The IUPAC name of 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde (CID 90872795) is 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde.
What is the SMILES notation for 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde?
The canonical SMILES for 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde is O=Cc1ccc(F)cc1C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde?
The InChIKey is DASYZMSPXDCCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4O2/c16-10-6-5-9(8-20)12(7-10)14(21)11-3-1-2-4-13(11)15(17,18)19/h1-8H.
What are the key properties of 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde?
4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde has a molecular weight of 296.22 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[2-(trifluoromethyl)benzoyl]benzaldehyde is sourced from PubChem (CID 90872795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).