(2,2,2-trifluoro-1-phenylethyl) benzoate

C15H11F3O2 — CID 10880475

IUPAC(2,2,2-trifluoro-1-phenylethyl) benzoate
SMILESO=C(OC(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13(11-7-3-1-4-8-11)20-14(19)12-9-5-2-6-10-12/h1-10,13H
InChIKeyHPRFARZPDAEDLS-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.15
Rot. Bonds3

About (2,2,2-trifluoro-1-phenylethyl) benzoate

(2,2,2-trifluoro-1-phenylethyl) benzoate (PubChem CID 10880475) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-phenylethyl) benzoate.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-phenylethyl) benzoate
PubChem CID10880475
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name(2,2,2-trifluoro-1-phenylethyl) benzoate
SMILESO=C(OC(c1ccccc1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13(11-7-3-1-4-8-11)20-14(19)12-9-5-2-6-10-12/h1-10,13H
InChIKeyHPRFARZPDAEDLS-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl Benzoate
CID 2345
Methyl Benzoate
CID 7150
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347
Butyl Benzoate
CID 8698
Hexyl benzoate
CID 23235
Propyl Benzoate
CID 16846
Phenethyl Benzoate
CID 7194
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Benzyl phenylacetate
CID 60999

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoro-1-phenylethyl) benzoate?
The IUPAC name of (2,2,2-trifluoro-1-phenylethyl) benzoate (CID 10880475) is (2,2,2-trifluoro-1-phenylethyl) benzoate.
What is the SMILES notation for (2,2,2-trifluoro-1-phenylethyl) benzoate?
The canonical SMILES for (2,2,2-trifluoro-1-phenylethyl) benzoate is O=C(OC(c1ccccc1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2,2,2-trifluoro-1-phenylethyl) benzoate?
The InChIKey is HPRFARZPDAEDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)13(11-7-3-1-4-8-11)20-14(19)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of (2,2,2-trifluoro-1-phenylethyl) benzoate?
(2,2,2-trifluoro-1-phenylethyl) benzoate has a molecular weight of 280.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-phenylethyl) benzoate is sourced from PubChem (CID 10880475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).