2-phenyl-5-(trifluoromethyl)benzoyl chloride

C14H8ClF3O — CID 18917526

IUPAC2-phenyl-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C14H8ClF3O/c15-13(19)12-8-10(14(16,17)18)6-7-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyUTUGXNXCDQQXPX-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.75
Rot. Bonds2

About 2-phenyl-5-(trifluoromethyl)benzoyl chloride

2-phenyl-5-(trifluoromethyl)benzoyl chloride (PubChem CID 18917526) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is 2-phenyl-5-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name2-phenyl-5-(trifluoromethyl)benzoyl chloride
PubChem CID18917526
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name2-phenyl-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)ccc1-c1ccccc1
InChIInChI=1S/C14H8ClF3O/c15-13(19)12-8-10(14(16,17)18)6-7-11(12)9-4-2-1-3-5-9/h1-8H
InChIKeyUTUGXNXCDQQXPX-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 2-phenyl-5-(trifluoromethyl)benzoyl chloride (CID 18917526) is 2-phenyl-5-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 2-phenyl-5-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 2-phenyl-5-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1cc(C(F)(F)F)ccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-(trifluoromethyl)benzoyl chloride?
The InChIKey is UTUGXNXCDQQXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c15-13(19)12-8-10(14(16,17)18)6-7-11(12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-phenyl-5-(trifluoromethyl)benzoyl chloride?
2-phenyl-5-(trifluoromethyl)benzoyl chloride has a molecular weight of 284.66 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 18917526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).