potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate

C9H11B3F12KO2-3 — CID 174052012

IUPACpotassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[CH2-]OCc1ccc(OC)cc1.[K+]
InChIInChI=1S/C9H11O2.3BF4.K/c1-10-7-8-3-5-9(11-2)6-4-8;3*2-1(3,4)5;/h3-6H,1,7H2,2H3;;;;/q4*-1;+1
InChIKeyCCYVYKNTFXTDSP-UHFFFAOYSA-N
MW450.70 g/mol
LogP2.91
Rot. Bonds3

About potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate

potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate (PubChem CID 174052012) has the molecular formula C9H11B3F12KO2-3 and a molecular weight of 450.70 g/mol. Its IUPAC name is potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate.

Molecular Properties

Compound Namepotassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate
PubChem CID174052012
Molecular FormulaC9H11B3F12KO2-3
Molecular Weight450.70 g/mol
Exact Mass451.05
IUPAC Namepotassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[CH2-]OCc1ccc(OC)cc1.[K+]
InChIInChI=1S/C9H11O2.3BF4.K/c1-10-7-8-3-5-9(11-2)6-4-8;3*2-1(3,4)5;/h3-6H,1,7H2,2H3;;;;/q4*-1;+1
InChIKeyCCYVYKNTFXTDSP-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis[(4-methoxyphenyl)methoxy]boranuide
CID 101479355
(4-methoxyphenyl)methyl hypobromite
CID 166766888
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
CID 175604529
CID 175604529

Frequently Asked Questions

What is the IUPAC name of potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate?
The IUPAC name of potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate (CID 174052012) is potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate.
What is the SMILES notation for potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate?
The canonical SMILES for potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[CH2-]OCc1ccc(OC)cc1.[K+].
What is the InChIKey of potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate?
The InChIKey is CCYVYKNTFXTDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.3BF4.K/c1-10-7-8-3-5-9(11-2)6-4-8;3*2-1(3,4)5;/h3-6H,1,7H2,2H3;;;;/q4*-1;+1.
What are the key properties of potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate?
potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate has a molecular weight of 450.70 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate is sourced from PubChem (CID 174052012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).