lithium 1,2,2-trifluoroethenoxybenzene

C8H4F3LiO — CID 71357367

IUPAClithium 1,2,2-trifluoroethenoxybenzene
SMILESFC(F)=C(F)Oc1cc[c-]cc1.[Li+]
InChIInChI=1S/C8H4F3O.Li/c9-7(10)8(11)12-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyPSQNAXMDBIZYSC-UHFFFAOYSA-N
MW180.05 g/mol
LogP-0.10
Rot. Bonds2

About lithium 1,2,2-trifluoroethenoxybenzene

lithium 1,2,2-trifluoroethenoxybenzene (PubChem CID 71357367) has the molecular formula C8H4F3LiO and a molecular weight of 180.05 g/mol. Its IUPAC name is lithium 1,2,2-trifluoroethenoxybenzene.

Molecular Properties

Compound Namelithium 1,2,2-trifluoroethenoxybenzene
PubChem CID71357367
Molecular FormulaC8H4F3LiO
Molecular Weight180.05 g/mol
Exact Mass180.04
IUPAC Namelithium 1,2,2-trifluoroethenoxybenzene
SMILESFC(F)=C(F)Oc1cc[c-]cc1.[Li+]
InChIInChI=1S/C8H4F3O.Li/c9-7(10)8(11)12-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyPSQNAXMDBIZYSC-UHFFFAOYSA-N
XLogP-0.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
Lithium trifluoromethoxybenzene
CID 22371263
2,4-Difluoro-6-methylidenepyran
CID 54513498
Lithium 3-fluoro-4-methoxybenzen-1-ide
CID 71374901

Frequently Asked Questions

What is the IUPAC name of lithium 1,2,2-trifluoroethenoxybenzene?
The IUPAC name of lithium 1,2,2-trifluoroethenoxybenzene (CID 71357367) is lithium 1,2,2-trifluoroethenoxybenzene.
What is the SMILES notation for lithium 1,2,2-trifluoroethenoxybenzene?
The canonical SMILES for lithium 1,2,2-trifluoroethenoxybenzene is FC(F)=C(F)Oc1cc[c-]cc1.[Li+].
What is the InChIKey of lithium 1,2,2-trifluoroethenoxybenzene?
The InChIKey is PSQNAXMDBIZYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3O.Li/c9-7(10)8(11)12-6-4-2-1-3-5-6;/h2-5H;/q-1;+1.
What are the key properties of lithium 1,2,2-trifluoroethenoxybenzene?
lithium 1,2,2-trifluoroethenoxybenzene has a molecular weight of 180.05 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,2-trifluoroethenoxybenzene is sourced from PubChem (CID 71357367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).