lithium trifluoromethylbenzene

C7H4F3Li — CID 11051849

IUPAClithium trifluoromethylbenzene
SMILESFC(F)(F)c1cc[c-]cc1.[Li+]
InChIInChI=1S/C7H4F3.Li/c8-7(9,10)6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyFMUJIJVVYZXXIU-UHFFFAOYSA-N
MW152.04 g/mol
LogP-0.49
Rot. Bonds

About lithium trifluoromethylbenzene

lithium trifluoromethylbenzene (PubChem CID 11051849) has the molecular formula C7H4F3Li and a molecular weight of 152.04 g/mol. Its IUPAC name is lithium trifluoromethylbenzene.

Molecular Properties

Compound Namelithium trifluoromethylbenzene
PubChem CID11051849
Molecular FormulaC7H4F3Li
Molecular Weight152.04 g/mol
Exact Mass152.04
IUPAC Namelithium trifluoromethylbenzene
SMILESFC(F)(F)c1cc[c-]cc1.[Li+]
InChIInChI=1S/C7H4F3.Li/c8-7(9,10)6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyFMUJIJVVYZXXIU-UHFFFAOYSA-N
XLogP-0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.04
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium trifluoromethylbenzene?
The IUPAC name of lithium trifluoromethylbenzene (CID 11051849) is lithium trifluoromethylbenzene.
What is the SMILES notation for lithium trifluoromethylbenzene?
The canonical SMILES for lithium trifluoromethylbenzene is FC(F)(F)c1cc[c-]cc1.[Li+].
What is the InChIKey of lithium trifluoromethylbenzene?
The InChIKey is FMUJIJVVYZXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.Li/c8-7(9,10)6-4-2-1-3-5-6;/h2-5H;/q-1;+1.
What are the key properties of lithium trifluoromethylbenzene?
lithium trifluoromethylbenzene has a molecular weight of 152.04 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium trifluoromethylbenzene is sourced from PubChem (CID 11051849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).