9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene

C14Br2F8 — CID 91225361

IUPAC9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene
SMILESFc1c(F)c(F)c2c(Br)c3c(F)c(F)c(F)c(F)c3c(Br)c2c1F
InChIInChI=1S/C14Br2F8/c15-5-1-2(8(18)12(22)11(21)7(1)17)6(16)4-3(5)9(19)13(23)14(24)10(4)20
InChIKeyMKWBNLRPDXHELO-UHFFFAOYSA-N
MW479.95 g/mol
LogP6.63
Rot. Bonds

About 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene

9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene (PubChem CID 91225361) has the molecular formula C14Br2F8 and a molecular weight of 479.95 g/mol. Its IUPAC name is 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene.

Molecular Properties

Compound Name9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene
PubChem CID91225361
Molecular FormulaC14Br2F8
Molecular Weight479.95 g/mol
Exact Mass477.82
IUPAC Name9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene
SMILESFc1c(F)c(F)c2c(Br)c3c(F)c(F)c(F)c(F)c3c(Br)c2c1F
InChIInChI=1S/C14Br2F8/c15-5-1-2(8(18)12(22)11(21)7(1)17)6(16)4-3(5)9(19)13(23)14(24)10(4)20
InChIKeyMKWBNLRPDXHELO-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.95
LogP ≤ 56.63
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': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene?
The IUPAC name of 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene (CID 91225361) is 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene.
What is the SMILES notation for 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene?
The canonical SMILES for 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene is Fc1c(F)c(F)c2c(Br)c3c(F)c(F)c(F)c(F)c3c(Br)c2c1F.
What is the InChIKey of 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene?
The InChIKey is MKWBNLRPDXHELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14Br2F8/c15-5-1-2(8(18)12(22)11(21)7(1)17)6(16)4-3(5)9(19)13(23)14(24)10(4)20.
What are the key properties of 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene?
9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene has a molecular weight of 479.95 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene is sourced from PubChem (CID 91225361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).