1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone

C9H6ClF3O2 — CID 131560488

IUPAC1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(C(F)(F)F)ccc(Cl)c1O
InChIInChI=1S/C9H6ClF3O2/c1-4(14)7-5(9(11,12)13)2-3-6(10)8(7)15/h2-3,15H,1H3
InChIKeyUBSFOZPIIDUYSG-UHFFFAOYSA-N
MW238.59 g/mol
LogP3.27
Rot. Bonds1

About 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone

1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 131560488) has the molecular formula C9H6ClF3O2 and a molecular weight of 238.59 g/mol. Its IUPAC name is 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone
PubChem CID131560488
Molecular FormulaC9H6ClF3O2
Molecular Weight238.59 g/mol
Exact Mass238.00
IUPAC Name1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(C(F)(F)F)ccc(Cl)c1O
InChIInChI=1S/C9H6ClF3O2/c1-4(14)7-5(9(11,12)13)2-3-6(10)8(7)15/h2-3,15H,1H3
InChIKeyUBSFOZPIIDUYSG-UHFFFAOYSA-N
XLogP3.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone (CID 131560488) is 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone is CC(=O)c1c(C(F)(F)F)ccc(Cl)c1O.
What is the InChIKey of 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UBSFOZPIIDUYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O2/c1-4(14)7-5(9(11,12)13)2-3-6(10)8(7)15/h2-3,15H,1H3.
What are the key properties of 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone?
1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 238.59 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 131560488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).