3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one

C15H11F3O2 — CID 23236944

IUPAC3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11F3O2/c16-15(17,18)14(20,12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h1-10,20H
InChIKeyRYNWUVWFNQMIRO-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.32
Rot. Bonds3

About 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one

3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one (PubChem CID 23236944) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one
PubChem CID23236944
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H11F3O2/c16-15(17,18)14(20,12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h1-10,20H
InChIKeyRYNWUVWFNQMIRO-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one (CID 23236944) is 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one is O=C(c1ccccc1)C(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one?
The InChIKey is RYNWUVWFNQMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)14(20,12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h1-10,20H.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one?
3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one has a molecular weight of 280.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-1,2-diphenylpropan-1-one is sourced from PubChem (CID 23236944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).