dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)

C7H4F4K2O — CID 172725076

IUPACdipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
SMILESFc1ccccc1C(F)(F)F.[K+].[K+].[O-2]
InChIInChI=1S/C7H4F4.2K.O/c8-6-4-2-1-3-5(6)7(9,10)11;;;/h1-4H;;;/q;2*+1;-2
InChIKeyHAOSDSITKUTMLV-UHFFFAOYSA-N
MW258.30 g/mol
LogP-3.27
Rot. Bonds

About dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)

dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-) (PubChem CID 172725076) has the molecular formula C7H4F4K2O and a molecular weight of 258.30 g/mol. Its IUPAC name is dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-).

Molecular Properties

Compound Namedipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
PubChem CID172725076
Molecular FormulaC7H4F4K2O
Molecular Weight258.30 g/mol
Exact Mass257.95
IUPAC Namedipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
SMILESFc1ccccc1C(F)(F)F.[K+].[K+].[O-2]
InChIInChI=1S/C7H4F4.2K.O/c8-6-4-2-1-3-5(6)7(9,10)11;;;/h1-4H;;;/q;2*+1;-2
InChIKeyHAOSDSITKUTMLV-UHFFFAOYSA-N
XLogP-3.27
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-3.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
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1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
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1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
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2,2-difluoro-2-(2-fluorophenyl)acetic acid
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2-(trifluoromethyl)phenol
CID 162212145
ethane;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;toluene
CID 143604043
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(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)?
The IUPAC name of dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-) (CID 172725076) is dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-).
What is the SMILES notation for dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)?
The canonical SMILES for dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-) is Fc1ccccc1C(F)(F)F.[K+].[K+].[O-2].
What is the InChIKey of dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)?
The InChIKey is HAOSDSITKUTMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4.2K.O/c8-6-4-2-1-3-5(6)7(9,10)11;;;/h1-4H;;;/q;2*+1;-2.
What are the key properties of dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)?
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-) has a molecular weight of 258.30 g/mol, XLogP of -3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-) is sourced from PubChem (CID 172725076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).