lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide

C7H3F4Li — CID 87391050

IUPAClithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
SMILESFc1[c-]cc(C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C7H3F4.Li/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-3H;/q-1;+1
InChIKeySHSBRSWIJFSPBR-UHFFFAOYSA-N
MW170.03 g/mol
LogP-0.35
Rot. Bonds

About lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide

lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide (PubChem CID 87391050) has the molecular formula C7H3F4Li and a molecular weight of 170.03 g/mol. Its IUPAC name is lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide.

Molecular Properties

Compound Namelithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
PubChem CID87391050
Molecular FormulaC7H3F4Li
Molecular Weight170.03 g/mol
Exact Mass170.03
IUPAC Namelithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
SMILESFc1[c-]cc(C(F)(F)F)cc1.[Li+]
InChIInChI=1S/C7H3F4.Li/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-3H;/q-1;+1
InChIKeySHSBRSWIJFSPBR-UHFFFAOYSA-N
XLogP-0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.03
LogP ≤ 5-0.35
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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Related Compounds

1-chloro-4-(trifluoromethyl)benzene-6-ide;iodomanganese(1+)
CID 169034021
1,4-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)
CID 146001685
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
[4-(trifluoromethyl)phenyl] thiohypochlorite
CID 12521940
lithium;iodozinc(1+);trifluoromethylbenzene;chloride
CID 135076249
trifluoromethylbenzene;zinc;hydrochloride
CID 87245768
carbanide;einsteinium;trifluoromethylbenzene
CID 162562480
CID 154390518
CID 154390518
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
chlorobenzene;trifluoromethylbenzene
CID 159341337
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
4-(trifluoromethyl)(18F)phenol
CID 71660610

Frequently Asked Questions

What is the IUPAC name of lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide?
The IUPAC name of lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide (CID 87391050) is lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide.
What is the SMILES notation for lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide?
The canonical SMILES for lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide is Fc1[c-]cc(C(F)(F)F)cc1.[Li+].
What is the InChIKey of lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide?
The InChIKey is SHSBRSWIJFSPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4.Li/c8-6-3-1-5(2-4-6)7(9,10)11;/h1-3H;/q-1;+1.
What are the key properties of lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide?
lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide has a molecular weight of 170.03 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-fluoro-4-(trifluoromethyl)benzene-6-ide is sourced from PubChem (CID 87391050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).