(4-phenylphenyl) 2,2,2-trifluoroacetate

C14H9F3O2 — CID 12030197

IUPAC(4-phenylphenyl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C14H9F3O2/c15-14(16,17)13(18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyIPWROZUTGADHSU-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.82
Rot. Bonds2

About (4-phenylphenyl) 2,2,2-trifluoroacetate

(4-phenylphenyl) 2,2,2-trifluoroacetate (PubChem CID 12030197) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is (4-phenylphenyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-phenylphenyl) 2,2,2-trifluoroacetate
PubChem CID12030197
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name(4-phenylphenyl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C14H9F3O2/c15-14(16,17)13(18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyIPWROZUTGADHSU-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.82
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-phenylphenyl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-phenylphenyl) 2,2,2-trifluoroacetate (CID 12030197) is (4-phenylphenyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-phenylphenyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-phenylphenyl) 2,2,2-trifluoroacetate is O=C(Oc1ccc(-c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of (4-phenylphenyl) 2,2,2-trifluoroacetate?
The InChIKey is IPWROZUTGADHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c15-14(16,17)13(18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (4-phenylphenyl) 2,2,2-trifluoroacetate?
(4-phenylphenyl) 2,2,2-trifluoroacetate has a molecular weight of 266.22 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 12030197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).