[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate

C16H8F6O3 — CID 2760733

IUPAC[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
SMILESO=C(OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H
InChIKeyFNAWJOBKLWLHTA-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.72
Rot. Bonds2

About [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate

[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate (PubChem CID 2760733) has the molecular formula C16H8F6O3 and a molecular weight of 362.23 g/mol. Its IUPAC name is [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
PubChem CID2760733
Molecular FormulaC16H8F6O3
Molecular Weight362.23 g/mol
Exact Mass362.04
IUPAC Name[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
SMILESO=C(OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H
InChIKeyFNAWJOBKLWLHTA-UHFFFAOYSA-N
XLogP4.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate?
The IUPAC name of [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate (CID 2760733) is [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate.
What is the SMILES notation for [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate?
The canonical SMILES for [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate is O=C(OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate?
The InChIKey is FNAWJOBKLWLHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H.
What are the key properties of [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate?
[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate has a molecular weight of 362.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 2760733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).