[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate

C16H11F3O3 — CID 24722930

IUPAC[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H11F3O3/c1-10(20)22-12-6-4-5-11(9-12)15(21)13-7-2-3-8-14(13)16(17,18)19/h2-9H,1H3
InChIKeyGAKZLDXGBORGII-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.86
Rot. Bonds3

About [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate

[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate (PubChem CID 24722930) has the molecular formula C16H11F3O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
PubChem CID24722930
Molecular FormulaC16H11F3O3
Molecular Weight308.26 g/mol
Exact Mass308.07
IUPAC Name[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H11F3O3/c1-10(20)22-12-6-4-5-11(9-12)15(21)13-7-2-3-8-14(13)16(17,18)19/h2-9H,1H3
InChIKeyGAKZLDXGBORGII-UHFFFAOYSA-N
XLogP3.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807
[3-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543533
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
[3-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726272
[3-(2-bromo-2,2-difluoroacetyl)phenyl] acetate
CID 146010595
[3-(3-phenylbenzoyl)phenyl] acetate
CID 131863068
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
[3-(3,4-difluorobenzoyl)phenyl] acetate
CID 24722970
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543

Frequently Asked Questions

What is the IUPAC name of [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate?
The IUPAC name of [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate (CID 24722930) is [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate.
What is the SMILES notation for [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate?
The canonical SMILES for [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate?
The InChIKey is GAKZLDXGBORGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c1-10(20)22-12-6-4-5-11(9-12)15(21)13-7-2-3-8-14(13)16(17,18)19/h2-9H,1H3.
What are the key properties of [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate?
[3-[2-(trifluoromethyl)benzoyl]phenyl] acetate has a molecular weight of 308.26 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethyl)benzoyl]phenyl] acetate is sourced from PubChem (CID 24722930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).