4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride

C15H7ClF6O2 — CID 118845542

IUPAC4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H7ClF6O2/c16-13(23)11-6-3-9(7-12(11)14(17,18)19)8-1-4-10(5-2-8)24-15(20,21)22/h1-7H
InChIKeyVKIVKMKBJHFXKU-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.65
Rot. Bonds3

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

4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride (PubChem CID 118845542) has the molecular formula C15H7ClF6O2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
PubChem CID118845542
Molecular FormulaC15H7ClF6O2
Molecular Weight368.66 g/mol
Exact Mass368.00
IUPAC Name4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F
InChIInChI=1S/C15H7ClF6O2/c16-13(23)11-6-3-9(7-12(11)14(17,18)19)8-1-4-10(5-2-8)24-15(20,21)22/h1-7H
InChIKeyVKIVKMKBJHFXKU-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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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
CID 118812281
3-chloro-5-[4-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134629860
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
2-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 134633857
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzaldehyde
CID 134627713
4-(2-fluorophenyl)-2-(trifluoromethyl)benzoyl chloride
CID 46313255
3-bromo-1-[4-(trifluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134624915
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride (CID 118845542) is 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride?
The InChIKey is VKIVKMKBJHFXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6O2/c16-13(23)11-6-3-9(7-12(11)14(17,18)19)8-1-4-10(5-2-8)24-15(20,21)22/h1-7H.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride?
4-[4-(trifluoromethoxy)phenyl]-2-(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 4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 118845542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).