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

C15H7ClF6O2 — CID 118812281

IUPAC2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H7ClF6O2/c16-13(23)12-7-9(14(17,18)19)3-6-11(12)8-1-4-10(5-2-8)24-15(20,21)22/h1-7H
InChIKeyBCQSWQYKCJOWLB-UHFFFAOYSA-N
MW368.66 g/mol
LogP5.65
Rot. Bonds3

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

2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride (PubChem CID 118812281) has the molecular formula C15H7ClF6O2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
PubChem CID118812281
Molecular FormulaC15H7ClF6O2
Molecular Weight368.66 g/mol
Exact Mass368.00
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H7ClF6O2/c16-13(23)12-7-9(14(17,18)19)3-6-11(12)8-1-4-10(5-2-8)24-15(20,21)22/h1-7H
InChIKeyBCQSWQYKCJOWLB-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)phenyl]methanol
CID 118807199
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
(E)-3-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 118834360
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
ethyl 4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134628857
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
[2-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-pyrrol-1-ylmethanone
CID 166438740
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride (CID 118812281) is 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride is O=C(Cl)c1cc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
The InChIKey is BCQSWQYKCJOWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6O2/c16-13(23)12-7-9(14(17,18)19)3-6-11(12)8-1-4-10(5-2-8)24-15(20,21)22/h1-7H.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride?
2-[4-(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 2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 118812281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).