1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate

C16H18B2F8O2Se2-2 — CID 139264995

IUPAC1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate
SMILESCCOc1cccc([Se][Se]c2cccc(OCC)c2)c1.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C16H18O2Se2.2BF4/c1-3-17-13-7-5-9-15(11-13)19-20-16-10-6-8-14(12-16)18-4-2;2*2-1(3,4)5/h5-12H,3-4H2,1-2H3;;/q;2*-1
InChIKeyRZAOSRPVUHSJNU-UHFFFAOYSA-N
MW573.85 g/mol
LogP4.36
Rot. Bonds7

About 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate

1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate (PubChem CID 139264995) has the molecular formula C16H18B2F8O2Se2-2 and a molecular weight of 573.85 g/mol. Its IUPAC name is 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate.

Molecular Properties

Compound Name1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate
PubChem CID139264995
Molecular FormulaC16H18B2F8O2Se2-2
Molecular Weight573.85 g/mol
Exact Mass575.97
IUPAC Name1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate
SMILESCCOc1cccc([Se][Se]c2cccc(OCC)c2)c1.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C16H18O2Se2.2BF4/c1-3-17-13-7-5-9-15(11-13)19-20-16-10-6-8-14(12-16)18-4-2;2*2-1(3,4)5/h5-12H,3-4H2,1-2H3;;/q;2*-1
InChIKeyRZAOSRPVUHSJNU-UHFFFAOYSA-N
XLogP4.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.85
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxybenzene tetrafluoroborate
CID 174807216
azane;1-ethoxy-3-pentoxybenzene
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1-bromo-3-ethoxybenzene;ethane
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3-ethoxy-N-propylaniline
CID 54800867
(3-ethoxyphenyl)methanethiol
CID 79885244
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
N-ethoxy-1-(3-ethoxyphenyl)methanamine
CID 82709882
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
1-ethenyl-3-ethoxybenzene
CID 11672687
1-ethoxy-3-ethynylbenzene
CID 53434126
3-ethoxyphenol;iodoethane
CID 162028202

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate?
The IUPAC name of 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate (CID 139264995) is 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate.
What is the SMILES notation for 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate?
The canonical SMILES for 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate is CCOc1cccc([Se][Se]c2cccc(OCC)c2)c1.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate?
The InChIKey is RZAOSRPVUHSJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2Se2.2BF4/c1-3-17-13-7-5-9-15(11-13)19-20-16-10-6-8-14(12-16)18-4-2;2*2-1(3,4)5/h5-12H,3-4H2,1-2H3;;/q;2*-1.
What are the key properties of 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate?
1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate has a molecular weight of 573.85 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(3-ethoxyphenyl)diselanyl]benzene ditetrafluoroborate is sourced from PubChem (CID 139264995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).