benzhydryl 4-(trifluoromethyl)benzoate

C21H15F3O2 — CID 132819939

IUPACbenzhydryl 4-(trifluoromethyl)benzoate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3O2/c22-21(23,24)18-13-11-17(12-14-18)20(25)26-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H
InChIKeyIXEAMZISJAFIAM-UHFFFAOYSA-N
MW356.34 g/mol
LogP5.65
Rot. Bonds4

About benzhydryl 4-(trifluoromethyl)benzoate

benzhydryl 4-(trifluoromethyl)benzoate (PubChem CID 132819939) has the molecular formula C21H15F3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is benzhydryl 4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namebenzhydryl 4-(trifluoromethyl)benzoate
PubChem CID132819939
Molecular FormulaC21H15F3O2
Molecular Weight356.34 g/mol
Exact Mass356.10
IUPAC Namebenzhydryl 4-(trifluoromethyl)benzoate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F3O2/c22-21(23,24)18-13-11-17(12-14-18)20(25)26-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H
InChIKeyIXEAMZISJAFIAM-UHFFFAOYSA-N
XLogP5.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.34
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-hydroxy-1,2-diphenylethyl] 4-(trifluoromethyl)benzoate
CID 12002871
benzhydryl pyridine-4-carboxylate
CID 891439
bis(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91741868
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2424390
[[4-(trifluoromethyl)phenyl]-[(2S,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl] 4-phenylbenzoate
CID 135307443
benzhydryl 3,5-diaminobenzoate
CID 102404480
[3-[4-(trifluoromethyl)benzoyl]oxy-2-bicyclo[2.2.2]octanyl] 4-(trifluoromethyl)benzoate
CID 170939255
CID 161391832
CID 161391832
amino 4-(trifluoromethyl)benzoate
CID 23201930
benzhydryl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 126183902
benzhydryl 4-[(4-methoxybenzoyl)amino]benzoate
CID 126182220

Frequently Asked Questions

What is the IUPAC name of benzhydryl 4-(trifluoromethyl)benzoate?
The IUPAC name of benzhydryl 4-(trifluoromethyl)benzoate (CID 132819939) is benzhydryl 4-(trifluoromethyl)benzoate.
What is the SMILES notation for benzhydryl 4-(trifluoromethyl)benzoate?
The canonical SMILES for benzhydryl 4-(trifluoromethyl)benzoate is O=C(OC(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of benzhydryl 4-(trifluoromethyl)benzoate?
The InChIKey is IXEAMZISJAFIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3O2/c22-21(23,24)18-13-11-17(12-14-18)20(25)26-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H.
What are the key properties of benzhydryl 4-(trifluoromethyl)benzoate?
benzhydryl 4-(trifluoromethyl)benzoate has a molecular weight of 356.34 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl 4-(trifluoromethyl)benzoate is sourced from PubChem (CID 132819939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).