(1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate

C18H20BF4N2P — CID 15945317

IUPAC(1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate
SMILESCCn1cc[n+](C)c1P(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C18H20N2P.BF4/c1-3-20-15-14-19(2)18(20)21(16-10-6-4-7-11-16)17-12-8-5-9-13-17;2-1(3,4)5/h4-15H,3H2,1-2H3;/q+1;-1
InChIKeyDICDFGOUKUAJDH-UHFFFAOYSA-N
MW382.15 g/mol
LogP3.39
Rot. Bonds4

About (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate

(1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate (PubChem CID 15945317) has the molecular formula C18H20BF4N2P and a molecular weight of 382.15 g/mol. Its IUPAC name is (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate.

Molecular Properties

Compound Name(1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate
PubChem CID15945317
Molecular FormulaC18H20BF4N2P
Molecular Weight382.15 g/mol
Exact Mass382.14
IUPAC Name(1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate
SMILESCCn1cc[n+](C)c1P(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C18H20N2P.BF4/c1-3-20-15-14-19(2)18(20)21(16-10-6-4-7-11-16)17-12-8-5-9-13-17;2-1(3,4)5/h4-15H,3H2,1-2H3;/q+1;-1
InChIKeyDICDFGOUKUAJDH-UHFFFAOYSA-N
XLogP3.39
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate?
The IUPAC name of (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate (CID 15945317) is (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate.
What is the SMILES notation for (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate?
The canonical SMILES for (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate is CCn1cc[n+](C)c1P(c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate?
The InChIKey is DICDFGOUKUAJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2P.BF4/c1-3-20-15-14-19(2)18(20)21(16-10-6-4-7-11-16)17-12-8-5-9-13-17;2-1(3,4)5/h4-15H,3H2,1-2H3;/q+1;-1.
What are the key properties of (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate?
(1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate has a molecular weight of 382.15 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate is sourced from PubChem (CID 15945317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).