lithium trifluoromethoxybenzene

C7H4F3LiO — CID 22371263

IUPAClithium trifluoromethoxybenzene
SMILESFC(F)(F)Oc1cc[c-]cc1.[Li+]
InChIInChI=1S/C7H4F3O.Li/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyVNEOJLBBAQKAHE-UHFFFAOYSA-N
MW168.04 g/mol
LogP-0.61
Rot. Bonds1

About lithium trifluoromethoxybenzene

lithium trifluoromethoxybenzene (PubChem CID 22371263) has the molecular formula C7H4F3LiO and a molecular weight of 168.04 g/mol. Its IUPAC name is lithium trifluoromethoxybenzene.

Molecular Properties

Compound Namelithium trifluoromethoxybenzene
PubChem CID22371263
Molecular FormulaC7H4F3LiO
Molecular Weight168.04 g/mol
Exact Mass168.04
IUPAC Namelithium trifluoromethoxybenzene
SMILESFC(F)(F)Oc1cc[c-]cc1.[Li+]
InChIInChI=1S/C7H4F3O.Li/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyVNEOJLBBAQKAHE-UHFFFAOYSA-N
XLogP-0.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Magnesium bromide 4-(trifluoromethoxy)benzen-1-ide (1/1/1)
CID 13504095
3-(Trifluoromethoxy)phenylmagnesium bromide
CID 71310845
Chlorozinc(1+);trifluoromethoxybenzene
CID 20709010
Lithium trifluoromethoxybenzene
CID 134971061
Manganese;trifluoromethoxybenzene
CID 134863370
(3-(trifluoromethoxy)phenyl)zinc(II) chloride
CID 156599699
2-Fluoro-6-methoxylithiobenzene
CID 20309574
Lithium 1-fluoro-4-methoxybenzene-6-ide
CID 57533147
Lithium 1-fluoro-2-methoxybenzene-3-ide
CID 58978741
2,4-Difluoro-6-methylidenepyran
CID 54513498
Lithium 4-[(trifluoroethenyl)oxy]benzen-1-ide
CID 71357367
Lithium 3-fluoro-4-methoxybenzen-1-ide
CID 71374901

Frequently Asked Questions

What is the IUPAC name of lithium trifluoromethoxybenzene?
The IUPAC name of lithium trifluoromethoxybenzene (CID 22371263) is lithium trifluoromethoxybenzene.
What is the SMILES notation for lithium trifluoromethoxybenzene?
The canonical SMILES for lithium trifluoromethoxybenzene is FC(F)(F)Oc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium trifluoromethoxybenzene?
The InChIKey is VNEOJLBBAQKAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3O.Li/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;+1.
What are the key properties of lithium trifluoromethoxybenzene?
lithium trifluoromethoxybenzene has a molecular weight of 168.04 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium trifluoromethoxybenzene is sourced from PubChem (CID 22371263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).