2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone

C14H6F6O2 — CID 16745302

IUPAC2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone
SMILESO=C(c1ccc(F)c(F)c1F)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H6F6O2/c15-7-3-1-5(9(17)11(7)19)13(21)14(22)6-2-4-8(16)12(20)10(6)18/h1-4,13,21H
InChIKeyICSVRGYUGLAIDB-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.44
Rot. Bonds3

About 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone

2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone (PubChem CID 16745302) has the molecular formula C14H6F6O2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone
PubChem CID16745302
Molecular FormulaC14H6F6O2
Molecular Weight320.19 g/mol
Exact Mass320.03
IUPAC Name2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone
SMILESO=C(c1ccc(F)c(F)c1F)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H6F6O2/c15-7-3-1-5(9(17)11(7)19)13(21)14(22)6-2-4-8(16)12(20)10(6)18/h1-4,13,21H
InChIKeyICSVRGYUGLAIDB-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone (CID 16745302) is 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone is O=C(c1ccc(F)c(F)c1F)C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone?
The InChIKey is ICSVRGYUGLAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6O2/c15-7-3-1-5(9(17)11(7)19)13(21)14(22)6-2-4-8(16)12(20)10(6)18/h1-4,13,21H.
What are the key properties of 2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone?
2-hydroxy-1,2-bis(2,3,4-trifluorophenyl)ethanone has a molecular weight of 320.19 g/mol, XLogP of 3.44, 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(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 16745302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).