manganese;trifluoromethoxybenzene

C7H4F3MnO- — CID 134863370

IUPACmanganese;trifluoromethoxybenzene
SMILESFC(F)(F)Oc1cc[c-]cc1.[Mn]
InChIInChI=1S/C7H4F3O.Mn/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;
InChIKeyWQDFQMNEJVFHOU-UHFFFAOYSA-N
MW216.04 g/mol
LogP2.38
Rot. Bonds1

About manganese;trifluoromethoxybenzene

manganese;trifluoromethoxybenzene (PubChem CID 134863370) has the molecular formula C7H4F3MnO- and a molecular weight of 216.04 g/mol. Its IUPAC name is manganese;trifluoromethoxybenzene.

Molecular Properties

Compound Namemanganese;trifluoromethoxybenzene
PubChem CID134863370
Molecular FormulaC7H4F3MnO-
Molecular Weight216.04 g/mol
Exact Mass215.96
IUPAC Namemanganese;trifluoromethoxybenzene
SMILESFC(F)(F)Oc1cc[c-]cc1.[Mn]
InChIInChI=1S/C7H4F3O.Mn/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;
InChIKeyWQDFQMNEJVFHOU-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 52.38
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

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
(3-(trifluoromethoxy)phenyl)zinc(II) chloride
CID 156599699
Lithium trifluoromethoxybenzene
CID 22371263
2,4-Difluoro-6-methylidenepyran
CID 54513498
Lithium 4-[(trifluoroethenyl)oxy]benzen-1-ide
CID 71357367
Magnesium;trifluoromethoxybenzene;bromide
CID 73183544
Magnesium;1-fluoro-2-(trifluoromethoxy)benzene-4-ide;bromide
CID 87486178
(2-(trifluoromethoxy)phenyl)magnesium bromide, 0.50 M in 2-MeTHF
CID 87890922
Magnesium;trifluoromethoxybenzene;fluoride
CID 88399987

Frequently Asked Questions

What is the IUPAC name of manganese;trifluoromethoxybenzene?
The IUPAC name of manganese;trifluoromethoxybenzene (CID 134863370) is manganese;trifluoromethoxybenzene.
What is the SMILES notation for manganese;trifluoromethoxybenzene?
The canonical SMILES for manganese;trifluoromethoxybenzene is FC(F)(F)Oc1cc[c-]cc1.[Mn].
What is the InChIKey of manganese;trifluoromethoxybenzene?
The InChIKey is WQDFQMNEJVFHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3O.Mn/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;.
What are the key properties of manganese;trifluoromethoxybenzene?
manganese;trifluoromethoxybenzene has a molecular weight of 216.04 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;trifluoromethoxybenzene is sourced from PubChem (CID 134863370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).