1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene

C18H8Br2F4S2 — CID 53349981

IUPAC1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(Sc2ccccc2Br)c(F)c(F)c1Sc1ccccc1Br
InChIInChI=1S/C18H8Br2F4S2/c19-9-5-1-3-7-11(9)25-17-13(21)15(23)18(16(24)14(17)22)26-12-8-4-2-6-10(12)20/h1-8H
InChIKeySWLDCYNYAIFOGC-UHFFFAOYSA-N
MW524.20 g/mol
LogP8.07
Rot. Bonds4

About 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene

1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene (PubChem CID 53349981) has the molecular formula C18H8Br2F4S2 and a molecular weight of 524.20 g/mol. Its IUPAC name is 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
PubChem CID53349981
Molecular FormulaC18H8Br2F4S2
Molecular Weight524.20 g/mol
Exact Mass521.84
IUPAC Name1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(Sc2ccccc2Br)c(F)c(F)c1Sc1ccccc1Br
InChIInChI=1S/C18H8Br2F4S2/c19-9-5-1-3-7-11(9)25-17-13(21)15(23)18(16(24)14(17)22)26-12-8-4-2-6-10(12)20/h1-8H
InChIKeySWLDCYNYAIFOGC-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.20
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene (CID 53349981) is 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene is Fc1c(F)c(Sc2ccccc2Br)c(F)c(F)c1Sc1ccccc1Br.
What is the InChIKey of 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene?
The InChIKey is SWLDCYNYAIFOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2F4S2/c19-9-5-1-3-7-11(9)25-17-13(21)15(23)18(16(24)14(17)22)26-12-8-4-2-6-10(12)20/h1-8H.
What are the key properties of 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene?
1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene has a molecular weight of 524.20 g/mol, XLogP of 8.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 53349981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).