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

C15H7ClF6O — CID 118851557

IUPAC5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF6O/c16-13(23)12-7-10(15(20,21)22)4-5-11(12)8-2-1-3-9(6-8)14(17,18)19/h1-7H
InChIKeyZRMOGTYLGYWUDA-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.77
Rot. Bonds2

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

5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride (PubChem CID 118851557) has the molecular formula C15H7ClF6O and a molecular weight of 352.66 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
PubChem CID118851557
Molecular FormulaC15H7ClF6O
Molecular Weight352.66 g/mol
Exact Mass352.01
IUPAC Name5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H7ClF6O/c16-13(23)12-7-10(15(20,21)22)4-5-11(12)8-2-1-3-9(6-8)14(17,18)19/h1-7H
InChIKeyZRMOGTYLGYWUDA-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoyl chloride
CID 118812281
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
2-phenyl-5-(trichloromethyl)benzoyl chloride
CID 87738729
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylic acid
CID 166784470
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride?
The IUPAC name of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride (CID 118851557) is 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride.
What is the SMILES notation for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride?
The canonical SMILES for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride is O=C(Cl)c1cc(C(F)(F)F)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride?
The InChIKey is ZRMOGTYLGYWUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6O/c16-13(23)12-7-10(15(20,21)22)4-5-11(12)8-2-1-3-9(6-8)14(17,18)19/h1-7H.
What are the key properties of 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride?
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride has a molecular weight of 352.66 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride is sourced from PubChem (CID 118851557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).