ABIPORWQFUOAKA-UHFFFAOYSA-N

C₁₀H₂₁BF₉NO — CID 157061128

About ABIPORWQFUOAKA-UHFFFAOYSA-N

ABIPORWQFUOAKA-UHFFFAOYSA-N (PubChem CID 157061128) has the molecular formula C₁₀H₂₁BF₉NO and a molecular weight of 353.08 g/mol. Its IUPAC name is diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate.

Molecular Properties

• Compound Name: ABIPORWQFUOAKA-UHFFFAOYSA-N
• PubChem CID: 157061128
• Molecular Formula: C₁₀H₂₁BF₉NO
• Molecular Weight: 353.08 g/mol
• Exact Mass: 353.16
• IUPAC Name: diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
• SMILES: CC[N+](C)(CC)CCOC.FC(F)C(F)(F)F.F[B-](F)(F)F
• InChI: InChI=1S/C8H20NO.C2HF5.BF4/c1-5-9(3,6-2)7-8-10-4;3-1(4)2(5,6)7;2-1(3,4)5/h5-8H2,1-4H3;1H;/q+1;;-1
• InChIKey: ABIPORWQFUOAKA-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.08
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ABIPORWQFUOAKA-UHFFFAOYSA-N?

The IUPAC name of ABIPORWQFUOAKA-UHFFFAOYSA-N (CID 157061128) is diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate.

What is the SMILES notation for ABIPORWQFUOAKA-UHFFFAOYSA-N?

The canonical SMILES for ABIPORWQFUOAKA-UHFFFAOYSA-N is CC[N+](C)(CC)CCOC.FC(F)C(F)(F)F.F[B-](F)(F)F.

What is the InChIKey of ABIPORWQFUOAKA-UHFFFAOYSA-N?

The InChIKey is ABIPORWQFUOAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO.C2HF5.BF4/c1-5-9(3,6-2)7-8-10-4;3-1(4)2(5,6)7;2-1(3,4)5/h5-8H2,1-4H3;1H;/q+1;;-1.

What are the key properties of ABIPORWQFUOAKA-UHFFFAOYSA-N?

ABIPORWQFUOAKA-UHFFFAOYSA-N has a molecular weight of 353.08 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ABIPORWQFUOAKA-UHFFFAOYSA-N is sourced from PubChem (CID 157061128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157061128 — identifiers, structure, computed properties (public domain)

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