(4-chlorophenyl) 2-(trifluoromethyl)benzoate

C14H8ClF3O2 — CID 532424

IUPAC(4-chlorophenyl) 2-(trifluoromethyl)benzoate
SMILESO=C(Oc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O2/c15-9-5-7-10(8-6-9)20-13(19)11-3-1-2-4-12(11)14(16,17)18/h1-8H
InChIKeyJKWUCDALVOYHGH-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.58
Rot. Bonds2

About (4-chlorophenyl) 2-(trifluoromethyl)benzoate

(4-chlorophenyl) 2-(trifluoromethyl)benzoate (PubChem CID 532424) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(trifluoromethyl)benzoate
PubChem CID532424
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name(4-chlorophenyl) 2-(trifluoromethyl)benzoate
SMILESO=C(Oc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O2/c15-9-5-7-10(8-6-9)20-13(19)11-3-1-2-4-12(11)14(16,17)18/h1-8H
InChIKeyJKWUCDALVOYHGH-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726272
(4-cyanophenyl) 2-(trifluoromethyl)benzoate
CID 532427
[4-(4-fluorobenzoyl)phenyl] 2-(trifluoromethyl)benzoate
CID 7931113
(4-chlorophenyl) 2-fluoro-6-(trifluoromethyl)benzoate
CID 91730943
[2-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726256
(3,5-dimethylphenyl) 2-(trifluoromethyl)benzoate
CID 532425
(2,4-dichloronaphthalen-1-yl) 2-(trifluoromethyl)benzoate
CID 91726264
methyl 2-(trifluoromethyl)benzoate
CID 2775578
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
methyl 2-(4-chlorophenoxy)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 174337942
bis(4-chlorophenyl) 2-methoxybenzene-1,3-dicarboxylate
CID 141451535
(4-chlorophenyl) 2-nitrobenzoate
CID 914136

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(trifluoromethyl)benzoate?
The IUPAC name of (4-chlorophenyl) 2-(trifluoromethyl)benzoate (CID 532424) is (4-chlorophenyl) 2-(trifluoromethyl)benzoate.
What is the SMILES notation for (4-chlorophenyl) 2-(trifluoromethyl)benzoate?
The canonical SMILES for (4-chlorophenyl) 2-(trifluoromethyl)benzoate is O=C(Oc1ccc(Cl)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-chlorophenyl) 2-(trifluoromethyl)benzoate?
The InChIKey is JKWUCDALVOYHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c15-9-5-7-10(8-6-9)20-13(19)11-3-1-2-4-12(11)14(16,17)18/h1-8H.
What are the key properties of (4-chlorophenyl) 2-(trifluoromethyl)benzoate?
(4-chlorophenyl) 2-(trifluoromethyl)benzoate has a molecular weight of 300.66 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 532424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).