1,2,3,4,6,7,8,9-octafluorodibenzoselenophene

C12F8Se — CID 633160

IUPAC1,2,3,4,6,7,8,9-octafluorodibenzoselenophene
SMILESFc1c(F)c(F)c2c([se]c3c(F)c(F)c(F)c(F)c32)c1F
InChIInChI=1S/C12F8Se/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15
InChIKeyDZJNUXMUFSWYHQ-UHFFFAOYSA-N
MW375.08 g/mol
LogP4.16
Rot. Bonds

About 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene

1,2,3,4,6,7,8,9-octafluorodibenzoselenophene (PubChem CID 633160) has the molecular formula C12F8Se and a molecular weight of 375.08 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9-octafluorodibenzoselenophene
PubChem CID633160
Molecular FormulaC12F8Se
Molecular Weight375.08 g/mol
Exact Mass375.90
IUPAC Name1,2,3,4,6,7,8,9-octafluorodibenzoselenophene
SMILESFc1c(F)c(F)c2c([se]c3c(F)c(F)c(F)c(F)c32)c1F
InChIInChI=1S/C12F8Se/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15
InChIKeyDZJNUXMUFSWYHQ-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.08
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene?
The IUPAC name of 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene (CID 633160) is 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene.
What is the SMILES notation for 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene?
The canonical SMILES for 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene is Fc1c(F)c(F)c2c([se]c3c(F)c(F)c(F)c(F)c32)c1F.
What is the InChIKey of 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene?
The InChIKey is DZJNUXMUFSWYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F8Se/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15.
What are the key properties of 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene?
1,2,3,4,6,7,8,9-octafluorodibenzoselenophene has a molecular weight of 375.08 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9-octafluorodibenzoselenophene is sourced from PubChem (CID 633160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).