1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene

C24Br6F12 — CID 15490458

IUPAC1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene
SMILESFc1c(Br)c(F)c(-c2c(F)c(-c3c(F)c(Br)c(F)c(Br)c3F)c(F)c(-c3c(F)c(Br)c(F)c(Br)c3F)c2F)c(F)c1Br
InChIInChI=1S/C24Br6F12/c25-7-16(34)4(17(35)8(26)22(7)40)1-13(31)2(5-18(36)9(27)23(41)10(28)19(5)37)15(33)3(14(1)32)6-20(38)11(29)24(42)12(30)21(6)39
InChIKeyJFQHCKDOHWFDBP-UHFFFAOYSA-N
MW995.66 g/mol
LogP12.93
Rot. Bonds3

About 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene

1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene (PubChem CID 15490458) has the molecular formula C24Br6F12 and a molecular weight of 995.66 g/mol. Its IUPAC name is 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene.

Molecular Properties

Compound Name1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene
PubChem CID15490458
Molecular FormulaC24Br6F12
Molecular Weight995.66 g/mol
Exact Mass989.49
IUPAC Name1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene
SMILESFc1c(Br)c(F)c(-c2c(F)c(-c3c(F)c(Br)c(F)c(Br)c3F)c(F)c(-c3c(F)c(Br)c(F)c(Br)c3F)c2F)c(F)c1Br
InChIInChI=1S/C24Br6F12/c25-7-16(34)4(17(35)8(26)22(7)40)1-13(31)2(5-18(36)9(27)23(41)10(28)19(5)37)15(33)3(14(1)32)6-20(38)11(29)24(42)12(30)21(6)39
InChIKeyJFQHCKDOHWFDBP-UHFFFAOYSA-N
XLogP12.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.66
LogP ≤ 512.93
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene?
The IUPAC name of 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene (CID 15490458) is 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene.
What is the SMILES notation for 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene?
The canonical SMILES for 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene is Fc1c(Br)c(F)c(-c2c(F)c(-c3c(F)c(Br)c(F)c(Br)c3F)c(F)c(-c3c(F)c(Br)c(F)c(Br)c3F)c2F)c(F)c1Br.
What is the InChIKey of 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene?
The InChIKey is JFQHCKDOHWFDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24Br6F12/c25-7-16(34)4(17(35)8(26)22(7)40)1-13(31)2(5-18(36)9(27)23(41)10(28)19(5)37)15(33)3(14(1)32)6-20(38)11(29)24(42)12(30)21(6)39.
What are the key properties of 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene?
1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene has a molecular weight of 995.66 g/mol, XLogP of 12.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(3,5-dibromo-2,4,6-trifluorophenyl)-2,4,6-trifluorobenzene is sourced from PubChem (CID 15490458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).