potassium;anisole;formaldehyde;hydride;tritetrafluoroborate

C8H11B3F12KO2-3 — CID 175056315

IUPACpotassium;anisole;formaldehyde;hydride;tritetrafluoroborate
SMILESC=O.COc1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+]
InChIInChI=1S/C7H8O.CH2O.3BF4.K.H/c1-8-7-5-3-2-4-6-7;1-2;3*2-1(3,4)5;;/h2-6H,1H3;1H2;;;;;/q;;3*-1;+1;-1
InChIKeyRFEOTYDVMVKGLG-UHFFFAOYSA-N
MW438.68 g/mol
LogP2.53
Rot. Bonds1

About potassium;anisole;formaldehyde;hydride;tritetrafluoroborate

potassium;anisole;formaldehyde;hydride;tritetrafluoroborate (PubChem CID 175056315) has the molecular formula C8H11B3F12KO2-3 and a molecular weight of 438.68 g/mol. Its IUPAC name is potassium;anisole;formaldehyde;hydride;tritetrafluoroborate.

Molecular Properties

Compound Namepotassium;anisole;formaldehyde;hydride;tritetrafluoroborate
PubChem CID175056315
Molecular FormulaC8H11B3F12KO2-3
Molecular Weight438.68 g/mol
Exact Mass439.05
IUPAC Namepotassium;anisole;formaldehyde;hydride;tritetrafluoroborate
SMILESC=O.COc1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+]
InChIInChI=1S/C7H8O.CH2O.3BF4.K.H/c1-8-7-5-3-2-4-6-7;1-2;3*2-1(3,4)5;;/h2-6H,1H3;1H2;;;;;/q;;3*-1;+1;-1
InChIKeyRFEOTYDVMVKGLG-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.68
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
anisole;trifluoroborane
CID 174665057
acetylene;anisole
CID 86033716
anisole;1,1'-biphenyl;naphthalene
CID 161250692
anisole;1,2-difluorobenzene
CID 158594805
anisole;[methoxy(methyl)phosphoryl]oxymethane
CID 175280701
anisole;ethane;propan-2-one
CID 164986667
anisole;isocyanic acid
CID 175305824
anisole;2,2,2-trifluoroacetic acid
CID 66633105
anisole;2-fluoroacetic acid
CID 160781746

Frequently Asked Questions

What is the IUPAC name of potassium;anisole;formaldehyde;hydride;tritetrafluoroborate?
The IUPAC name of potassium;anisole;formaldehyde;hydride;tritetrafluoroborate (CID 175056315) is potassium;anisole;formaldehyde;hydride;tritetrafluoroborate.
What is the SMILES notation for potassium;anisole;formaldehyde;hydride;tritetrafluoroborate?
The canonical SMILES for potassium;anisole;formaldehyde;hydride;tritetrafluoroborate is C=O.COc1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+].
What is the InChIKey of potassium;anisole;formaldehyde;hydride;tritetrafluoroborate?
The InChIKey is RFEOTYDVMVKGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CH2O.3BF4.K.H/c1-8-7-5-3-2-4-6-7;1-2;3*2-1(3,4)5;;/h2-6H,1H3;1H2;;;;;/q;;3*-1;+1;-1.
What are the key properties of potassium;anisole;formaldehyde;hydride;tritetrafluoroborate?
potassium;anisole;formaldehyde;hydride;tritetrafluoroborate has a molecular weight of 438.68 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;anisole;formaldehyde;hydride;tritetrafluoroborate is sourced from PubChem (CID 175056315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).