acetonitrile;nonane;tetrafluoroborate

C11H23BF4N- — CID 175569585

IUPACacetonitrile;nonane;tetrafluoroborate
SMILESCC#N.CCCCCCCCC.F[B-](F)(F)F
InChIInChI=1S/C9H20.C2H3N.BF4/c1-3-5-7-9-8-6-4-2;1-2-3;2-1(3,4)5/h3-9H2,1-2H3;1H3;/q;;-1
InChIKeyRFEZMFJBWOKURW-UHFFFAOYSA-N
MW256.12 g/mol
LogP5.59
Rot. Bonds6

About acetonitrile;nonane;tetrafluoroborate

acetonitrile;nonane;tetrafluoroborate (PubChem CID 175569585) has the molecular formula C11H23BF4N- and a molecular weight of 256.12 g/mol. Its IUPAC name is acetonitrile;nonane;tetrafluoroborate.

Molecular Properties

Compound Nameacetonitrile;nonane;tetrafluoroborate
PubChem CID175569585
Molecular FormulaC11H23BF4N-
Molecular Weight256.12 g/mol
Exact Mass256.19
IUPAC Nameacetonitrile;nonane;tetrafluoroborate
SMILESCC#N.CCCCCCCCC.F[B-](F)(F)F
InChIInChI=1S/C9H20.C2H3N.BF4/c1-3-5-7-9-8-6-4-2;1-2-3;2-1(3,4)5/h3-9H2,1-2H3;1H3;/q;;-1
InChIKeyRFEZMFJBWOKURW-UHFFFAOYSA-N
XLogP5.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.12
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

heptane;hydrate
CID 57468513
dodecylazanium tetrafluoroborate
CID 141181929
tributyl(dodecyl)azanium tetrafluoroborate
CID 141411504
dioctadecylazanium tetrafluoroborate
CID 140565722
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;tetrahydrate
CID 174107213
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of acetonitrile;nonane;tetrafluoroborate?
The IUPAC name of acetonitrile;nonane;tetrafluoroborate (CID 175569585) is acetonitrile;nonane;tetrafluoroborate.
What is the SMILES notation for acetonitrile;nonane;tetrafluoroborate?
The canonical SMILES for acetonitrile;nonane;tetrafluoroborate is CC#N.CCCCCCCCC.F[B-](F)(F)F.
What is the InChIKey of acetonitrile;nonane;tetrafluoroborate?
The InChIKey is RFEZMFJBWOKURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C2H3N.BF4/c1-3-5-7-9-8-6-4-2;1-2-3;2-1(3,4)5/h3-9H2,1-2H3;1H3;/q;;-1.
What are the key properties of acetonitrile;nonane;tetrafluoroborate?
acetonitrile;nonane;tetrafluoroborate has a molecular weight of 256.12 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;nonane;tetrafluoroborate is sourced from PubChem (CID 175569585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).