2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone

C16H10F6O2 — CID 15044210

IUPAC2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)11-5-1-9(2-6-11)13(23)14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8,13,23H
InChIKeyYXRXAFBHYVJYJW-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.64
Rot. Bonds3

About 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone

2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 15044210) has the molecular formula C16H10F6O2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
PubChem CID15044210
Molecular FormulaC16H10F6O2
Molecular Weight348.24 g/mol
Exact Mass348.06
IUPAC Name2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6O2/c17-15(18,19)11-5-1-9(2-6-11)13(23)14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8,13,23H
InChIKeyYXRXAFBHYVJYJW-UHFFFAOYSA-N
XLogP4.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone (CID 15044210) is 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone is O=C(c1ccc(C(F)(F)F)cc1)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is YXRXAFBHYVJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O2/c17-15(18,19)11-5-1-9(2-6-11)13(23)14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8,13,23H.
What are the key properties of 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone?
2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 348.24 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 15044210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).