Lithium 2-(trifluoromethyl)benzen-1-ide

C7H4F3Li — CID 12434981

IUPAClithium trifluoromethylbenzene
SMILES[Li+].C1=CC=C([C-]=C1)C(F)(F)F
InChIInChI=1S/C7H4F3.Li/c8-7(9,10)6-4-2-1-3-5-6;/h1-4H;/q-1;+1
InChIKeyKUHXNRINBJMEDI-UHFFFAOYSA-N
MW152.10 g/mol
LogP—
Rot. Bonds

About Lithium 2-(trifluoromethyl)benzen-1-ide

Lithium 2-(trifluoromethyl)benzen-1-ide (PubChem CID 12434981) has the molecular formula C7H4F3Li and a molecular weight of 152.10 g/mol. Its IUPAC name is lithium trifluoromethylbenzene.

Molecular Properties

Compound NameLithium 2-(trifluoromethyl)benzen-1-ide
PubChem CID12434981
Molecular FormulaC7H4F3Li
Molecular Weight152.10 g/mol
Exact Mass152.04
IUPAC Namelithium trifluoromethylbenzene
SMILES[Li+].C1=CC=C([C-]=C1)C(F)(F)F
InChIInChI=1S/C7H4F3.Li/c8-7(9,10)6-4-2-1-3-5-6;/h1-4H;/q-1;+1
InChIKeyKUHXNRINBJMEDI-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity210

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Trifluoromethyl)cyclopenta-1,3-diene
CID 21188888
Lithium, [3-(trifluoromethyl)phenyl]-
CID 10909751
(4-(Trifluoromethyl)phenyl)magnesium bromide
CID 11010353
Lithium, [4-(trifluoromethyl)phenyl]-
CID 11051849
Lithium, [2,4,6-tris(trifluoromethyl)phenyl]-
CID 11066102
(2-(Trifluoromethyl)phenyl)magnesium bromide, 0.50 M in THF
CID 11368679
Magnesium;trifluoromethylbenzene;bromide
CID 11747026
Lithium 1,3-bis(trifluoromethyl)benzene-5-ide
CID 13583763
3-(Trifluoromethyl)phenylmagnesium chloride
CID 13974373
Chlorozinc(1+);trifluoromethylbenzene
CID 14435811
Iodozinc(1+);trifluoromethylbenzene
CID 14980131
CID 15580181
CID 15580181

Frequently Asked Questions

What is the IUPAC name of Lithium 2-(trifluoromethyl)benzen-1-ide?
The IUPAC name of Lithium 2-(trifluoromethyl)benzen-1-ide (CID 12434981) is lithium trifluoromethylbenzene.
What is the SMILES notation for Lithium 2-(trifluoromethyl)benzen-1-ide?
The canonical SMILES for Lithium 2-(trifluoromethyl)benzen-1-ide is [Li+].C1=CC=C([C-]=C1)C(F)(F)F.
What is the InChIKey of Lithium 2-(trifluoromethyl)benzen-1-ide?
The InChIKey is KUHXNRINBJMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.Li/c8-7(9,10)6-4-2-1-3-5-6;/h1-4H;/q-1;+1.
What are the key properties of Lithium 2-(trifluoromethyl)benzen-1-ide?
Lithium 2-(trifluoromethyl)benzen-1-ide has a molecular weight of 152.10 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Lithium 2-(trifluoromethyl)benzen-1-ide is sourced from PubChem (CID 12434981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).