[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

C27H18ClF3O2 — CID 2424390

IUPAC[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
SMILESO=C(O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H18ClF3O2/c28-22-16-12-20(13-17-22)25(19-6-2-1-3-7-19)33-26(32)24-9-5-4-8-23(24)18-10-14-21(15-11-18)27(29,30)31/h1-17,25H/t25-/m1/s1
InChIKeyWQQVGSJMNZWIBS-RUZDIDTESA-N
MW466.89 g/mol
LogP7.97
Rot. Bonds5

About [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate

[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate (PubChem CID 2424390) has the molecular formula C27H18ClF3O2 and a molecular weight of 466.89 g/mol. Its IUPAC name is [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate.

Molecular Properties

Compound Name[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
PubChem CID2424390
Molecular FormulaC27H18ClF3O2
Molecular Weight466.89 g/mol
Exact Mass466.09
IUPAC Name[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
SMILESO=C(O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H18ClF3O2/c28-22-16-12-20(13-17-22)25(19-6-2-1-3-7-19)33-26(32)24-9-5-4-8-23(24)18-10-14-21(15-11-18)27(29,30)31/h1-17,25H/t25-/m1/s1
InChIKeyWQQVGSJMNZWIBS-RUZDIDTESA-N
XLogP7.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.89
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103643
[(2S)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103644
benzhydryl 5-chloro-2-hydroxybenzoate
CID 931900
tert-butyl 2-[4-(trifluoromethyl)phenyl]benzenecarboperoxoate
CID 174839382
1-(4-chlorophenyl)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 118130022
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
1,1,1,3,3,3-hexafluoropropan-2-yl 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]benzoate
CID 154171146
[2-chloro-4-[2-[3-(diethylamino)-3-oxo-2-phenylpropoxy]-2-oxoethyl]phenyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 68764105
[(1R)-2-oxocyclohexyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2448511
benzhydryl 2-(4-phenylbenzoyl)benzoate
CID 126188942
benzhydryl 2-[hydroxy(methyl)amino]benzoate
CID 174834838

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The IUPAC name of [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate (CID 2424390) is [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate.
What is the SMILES notation for [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The canonical SMILES for [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate is O=C(O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
The InChIKey is WQQVGSJMNZWIBS-RUZDIDTESA-N. The full InChI is InChI=1S/C27H18ClF3O2/c28-22-16-12-20(13-17-22)25(19-6-2-1-3-7-19)33-26(32)24-9-5-4-8-23(24)18-10-14-21(15-11-18)27(29,30)31/h1-17,25H/t25-/m1/s1.
What are the key properties of [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate?
[(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate has a molecular weight of 466.89 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-chlorophenyl)-phenylmethyl] 2-[4-(trifluoromethyl)phenyl]benzoate is sourced from PubChem (CID 2424390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).