[4-[4-(trifluoromethyl)phenyl]phenyl] acetate

C15H11F3O2 — CID 14468004

IUPAC[4-[4-(trifluoromethyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3O2/c1-10(19)20-14-8-4-12(5-9-14)11-2-6-13(7-3-11)15(16,17)18/h2-9H,1H3
InChIKeyCZXYMAROEFKHBK-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.30
Rot. Bonds2

About [4-[4-(trifluoromethyl)phenyl]phenyl] acetate

[4-[4-(trifluoromethyl)phenyl]phenyl] acetate (PubChem CID 14468004) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenyl]phenyl] acetate
PubChem CID14468004
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name[4-[4-(trifluoromethyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H11F3O2/c1-10(19)20-14-8-4-12(5-9-14)11-2-6-13(7-3-11)15(16,17)18/h2-9H,1H3
InChIKeyCZXYMAROEFKHBK-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl] acetate?
The IUPAC name of [4-[4-(trifluoromethyl)phenyl]phenyl] acetate (CID 14468004) is [4-[4-(trifluoromethyl)phenyl]phenyl] acetate.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenyl]phenyl] acetate?
The canonical SMILES for [4-[4-(trifluoromethyl)phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenyl]phenyl] acetate?
The InChIKey is CZXYMAROEFKHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-10(19)20-14-8-4-12(5-9-14)11-2-6-13(7-3-11)15(16,17)18/h2-9H,1H3.
What are the key properties of [4-[4-(trifluoromethyl)phenyl]phenyl] acetate?
[4-[4-(trifluoromethyl)phenyl]phenyl] acetate has a molecular weight of 280.25 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenyl]phenyl] acetate is sourced from PubChem (CID 14468004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).