lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide

C11H6F3LiO — CID 134833441

IUPAClithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide
SMILESFC(F)(F)Oc1[c-]c2ccccc2cc1.[Li+]
InChIInChI=1S/C11H6F3O.Li/c12-11(13,14)15-10-6-5-8-3-1-2-4-9(8)7-10;/h1-6H;/q-1;+1
InChIKeyIRAXFYFGMKVMTD-UHFFFAOYSA-N
MW218.10 g/mol
LogP0.54
Rot. Bonds1

About lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide

lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide (PubChem CID 134833441) has the molecular formula C11H6F3LiO and a molecular weight of 218.10 g/mol. Its IUPAC name is lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide.

Molecular Properties

Compound Namelithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide
PubChem CID134833441
Molecular FormulaC11H6F3LiO
Molecular Weight218.10 g/mol
Exact Mass218.05
IUPAC Namelithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide
SMILESFC(F)(F)Oc1[c-]c2ccccc2cc1.[Li+]
InChIInChI=1S/C11H6F3O.Li/c12-11(13,14)15-10-6-5-8-3-1-2-4-9(8)7-10;/h1-6H;/q-1;+1
InChIKeyIRAXFYFGMKVMTD-UHFFFAOYSA-N
XLogP0.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 50.54
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

cobalt;1H-naphthalen-1-id-2-amine
CID 88845481
trifluoromethoxybenzene
CID 157402708
2-(trifluoromethoxy)naphthalen-1-olate
CID 22090504
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
2-methoxy-1-(trifluoromethoxy)naphthalene
CID 149345741
chloronickel;2-methoxy-1H-naphthalen-1-ide;bis(tricyclohexylphosphanium)
CID 134847898
trifluoromethoxybenzene fluoride
CID 158305019
bromo(trifluoro)methane;naphthalene
CID 159657697
9H-anthracen-9-ide;bromozinc(1+)
CID 171991378
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-(trifluoromethoxy)naphthalene-2-carbonyl chloride
CID 166641127
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
CID 162334552

Frequently Asked Questions

What is the IUPAC name of lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide?
The IUPAC name of lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide (CID 134833441) is lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide.
What is the SMILES notation for lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide?
The canonical SMILES for lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide is FC(F)(F)Oc1[c-]c2ccccc2cc1.[Li+].
What is the InChIKey of lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide?
The InChIKey is IRAXFYFGMKVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3O.Li/c12-11(13,14)15-10-6-5-8-3-1-2-4-9(8)7-10;/h1-6H;/q-1;+1.
What are the key properties of lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide?
lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide has a molecular weight of 218.10 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(trifluoromethoxy)-1H-naphthalen-1-ide is sourced from PubChem (CID 134833441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).