2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride

C15H10ClF3O2 — CID 86032170

IUPAC2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)Cl
InChIInChI=1S/C15H10ClF3O2/c1-21-13-7-4-10(8-12(13)14(16)20)9-2-5-11(6-3-9)15(17,18)19/h2-8H,1H3
InChIKeyMEYGKJGFHUZULL-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.76
Rot. Bonds3

About 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride

2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride (PubChem CID 86032170) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride.

Molecular Properties

Compound Name2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
PubChem CID86032170
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)Cl
InChIInChI=1S/C15H10ClF3O2/c1-21-13-7-4-10(8-12(13)14(16)20)9-2-5-11(6-3-9)15(17,18)19/h2-8H,1H3
InChIKeyMEYGKJGFHUZULL-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.76
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 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride?
The IUPAC name of 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride (CID 86032170) is 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride.
What is the SMILES notation for 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride?
The canonical SMILES for 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride is COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)Cl.
What is the InChIKey of 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride?
The InChIKey is MEYGKJGFHUZULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c1-21-13-7-4-10(8-12(13)14(16)20)9-2-5-11(6-3-9)15(17,18)19/h2-8H,1H3.
What are the key properties of 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride?
2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride has a molecular weight of 314.69 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride is sourced from PubChem (CID 86032170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).