potassium trifluoromethoxybenzene

C7H4F3KO — CID 170734442

IUPACpotassium trifluoromethoxybenzene
SMILESFC(F)(F)Oc1cc[c-]cc1.[K+]
InChIInChI=1S/C7H4F3O.K/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyJNJDWTYPDRZFEL-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.61
Rot. Bonds1

About potassium trifluoromethoxybenzene

potassium trifluoromethoxybenzene (PubChem CID 170734442) has the molecular formula C7H4F3KO and a molecular weight of 200.20 g/mol. Its IUPAC name is potassium trifluoromethoxybenzene.

Molecular Properties

Compound Namepotassium trifluoromethoxybenzene
PubChem CID170734442
Molecular FormulaC7H4F3KO
Molecular Weight200.20 g/mol
Exact Mass199.99
IUPAC Namepotassium trifluoromethoxybenzene
SMILESFC(F)(F)Oc1cc[c-]cc1.[K+]
InChIInChI=1S/C7H4F3O.K/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;+1
InChIKeyJNJDWTYPDRZFEL-UHFFFAOYSA-N
XLogP-0.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.61
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

trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818
[4-(trifluoromethoxy)anilino]azanium
CID 140653145
dimethyl-[4-(trifluoromethoxy)phenyl]-λ3-iodane
CID 162561670

Frequently Asked Questions

What is the IUPAC name of potassium trifluoromethoxybenzene?
The IUPAC name of potassium trifluoromethoxybenzene (CID 170734442) is potassium trifluoromethoxybenzene.
What is the SMILES notation for potassium trifluoromethoxybenzene?
The canonical SMILES for potassium trifluoromethoxybenzene is FC(F)(F)Oc1cc[c-]cc1.[K+].
What is the InChIKey of potassium trifluoromethoxybenzene?
The InChIKey is JNJDWTYPDRZFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3O.K/c8-7(9,10)11-6-4-2-1-3-5-6;/h2-5H;/q-1;+1.
What are the key properties of potassium trifluoromethoxybenzene?
potassium trifluoromethoxybenzene has a molecular weight of 200.20 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoromethoxybenzene is sourced from PubChem (CID 170734442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).