fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)

C18H28BFN2O2 — CID 66672523

IUPACfluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
SMILESC[N+](C)(C)c1ccccc1.C[N+](C)(C)c1ccccc1.[O-]B([O-])F
InChIInChI=1S/2C9H14N.BFO2/c2*1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h2*4-8H,1-3H3;/q2*+1;-2
InChIKeyQCTDCPYBZQIJNC-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.43
Rot. Bonds2

About fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)

fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium) (PubChem CID 66672523) has the molecular formula C18H28BFN2O2 and a molecular weight of 334.24 g/mol. Its IUPAC name is fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium).

Molecular Properties

Compound Namefluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
PubChem CID66672523
Molecular FormulaC18H28BFN2O2
Molecular Weight334.24 g/mol
Exact Mass334.22
IUPAC Namefluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)
SMILESC[N+](C)(C)c1ccccc1.C[N+](C)(C)c1ccccc1.[O-]B([O-])F
InChIInChI=1S/2C9H14N.BFO2/c2*1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h2*4-8H,1-3H3;/q2*+1;-2
InChIKeyQCTDCPYBZQIJNC-UHFFFAOYSA-N
XLogP1.43
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-(113C)methyl-phenylazanium iodide
CID 11334548
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CID 15787908
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ethanolate;trimethyl(phenyl)azanium
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trimethyl(phenyl)azanium permanganate
CID 134811481
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CID 173074857
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CID 66900184
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CID 12504234
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CID 159524097
propanoate;trimethyl(phenyl)azanium
CID 70571170
prop-2-enoate;trimethyl(phenyl)azanium
CID 126506580
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;trimethyl(phenyl)azanium
CID 87848212

Frequently Asked Questions

What is the IUPAC name of fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)?
The IUPAC name of fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium) (CID 66672523) is fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium).
What is the SMILES notation for fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)?
The canonical SMILES for fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium) is C[N+](C)(C)c1ccccc1.C[N+](C)(C)c1ccccc1.[O-]B([O-])F.
What is the InChIKey of fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)?
The InChIKey is QCTDCPYBZQIJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14N.BFO2/c2*1-10(2,3)9-7-5-4-6-8-9;2-1(3)4/h2*4-8H,1-3H3;/q2*+1;-2.
What are the key properties of fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium)?
fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium) has a molecular weight of 334.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(dioxido)borane;bis(trimethyl(phenyl)azanium) is sourced from PubChem (CID 66672523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).