1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate

C10H8B2F10N2 — CID 2733931

IUPAC1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[n+]1ccccc1-c1cccc[n+]1F
InChIInChI=1S/C10H8F2N2.2BF4/c11-13-7-3-1-5-9(13)10-6-2-4-8-14(10)12;2*2-1(3,4)5/h1-8H;;/q+2;2*-1
InChIKeyIDFABAACDRPWQX-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.99
Rot. Bonds1

About 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate

1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate (PubChem CID 2733931) has the molecular formula C10H8B2F10N2 and a molecular weight of 367.79 g/mol. Its IUPAC name is 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate.

Molecular Properties

Compound Name1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate
PubChem CID2733931
Molecular FormulaC10H8B2F10N2
Molecular Weight367.79 g/mol
Exact Mass368.07
IUPAC Name1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.F[n+]1ccccc1-c1cccc[n+]1F
InChIInChI=1S/C10H8F2N2.2BF4/c11-13-7-3-1-5-9(13)10-6-2-4-8-14(10)12;2*2-1(3,4)5/h1-8H;;/q+2;2*-1
InChIKeyIDFABAACDRPWQX-UHFFFAOYSA-N
XLogP3.99
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate?
The IUPAC name of 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate (CID 2733931) is 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate.
What is the SMILES notation for 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate?
The canonical SMILES for 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.F[n+]1ccccc1-c1cccc[n+]1F.
What is the InChIKey of 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate?
The InChIKey is IDFABAACDRPWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2.2BF4/c11-13-7-3-1-5-9(13)10-6-2-4-8-14(10)12;2*2-1(3,4)5/h1-8H;;/q+2;2*-1.
What are the key properties of 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate?
1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate has a molecular weight of 367.79 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1-fluoropyridin-1-ium-2-yl)pyridin-1-ium ditetrafluoroborate is sourced from PubChem (CID 2733931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).