3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride

C15H7ClF6O2 — CID 118815323

IUPAC3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ccccc2OC(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF6O2/c16-13(23)9-5-8(6-10(7-9)14(17,18)19)11-3-1-2-4-12(11)24-15(20,21)22/h1-7H
InChIKeyHBPPDOHCABEOOR-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.65
Rot. Bonds3

About 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride

3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride (PubChem CID 118815323) has the molecular formula C15H7ClF6O2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
PubChem CID118815323
Molecular FormulaC15H7ClF6O2
Molecular Weight368.66 g/mol
Exact Mass368.00
IUPAC Name3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ccccc2OC(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF6O2/c16-13(23)9-5-8(6-10(7-9)14(17,18)19)11-3-1-2-4-12(11)24-15(20,21)22/h1-7H
InChIKeyHBPPDOHCABEOOR-UHFFFAOYSA-N
XLogP5.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.66
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride (CID 118815323) is 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1cc(-c2ccccc2OC(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
The InChIKey is HBPPDOHCABEOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6O2/c16-13(23)9-5-8(6-10(7-9)14(17,18)19)11-3-1-2-4-12(11)24-15(20,21)22/h1-7H.
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride has a molecular weight of 368.66 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 118815323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).