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

C16H10F6O3 — CID 141346430

IUPAC[2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium
SMILES[O-]/[O+]=C(/c1ccc(C(F)(F)F)cc1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)14(25-24)10-3-7-12(8-4-10)16(20,21)22/h1-8,13,23H
InChIKeyWTVJVHHZKVLTFS-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.45
Rot. Bonds3

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

[2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium (PubChem CID 141346430) has the molecular formula C16H10F6O3 and a molecular weight of 364.24 g/mol. Its IUPAC name is [2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium.

Molecular Properties

Compound Name[2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium
PubChem CID141346430
Molecular FormulaC16H10F6O3
Molecular Weight364.24 g/mol
Exact Mass364.05
IUPAC Name[2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium
SMILES[O-]/[O+]=C(/c1ccc(C(F)(F)F)cc1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H10F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)14(25-24)10-3-7-12(8-4-10)16(20,21)22/h1-8,13,23H
InChIKeyWTVJVHHZKVLTFS-UHFFFAOYSA-N
XLogP3.45
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
CID 57421218
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
(1R,2S,4S,5R)-1,5-dihydroxy-2,4-dimethyl-1,5-bis[4-(trifluoromethyl)phenyl]pentan-3-one
CID 177451871
(1S,2R,3S)-2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propane-1,3-diol
CID 102071267
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium?
The IUPAC name of [2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium (CID 141346430) is [2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium.
What is the SMILES notation for [2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium?
The canonical SMILES for [2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium is [O-]/[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]ethylidene]-oxidooxidanium?
The InChIKey is WTVJVHHZKVLTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)14(25-24)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]ethylidene]-oxidooxidanium?
[2-hydroxy-1,2-bis[4-(trifluoromethyl)phenyl]ethylidene]-oxidooxidanium has a molecular weight of 364.24 g/mol, XLogP of 3.45, 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]ethylidene]-oxidooxidanium is sourced from PubChem (CID 141346430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).