(3-bromophenyl)-pentafluoro-lambda6-sulfane

C6H4BrF5S — CID 2779192

IUPAC(3-bromophenyl)-pentafluoro-lambda6-sulfane
SMILESFS(F)(F)(F)(F)c1cccc(Br)c1
InChIInChI=1S/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
InChIKeyQRPMKEUTGAXKSD-UHFFFAOYSA-N
MW283.06 g/mol
LogP5.11
Rot. Bonds1

About (3-bromophenyl)-pentafluoro-lambda6-sulfane

(3-bromophenyl)-pentafluoro-lambda6-sulfane (PubChem CID 2779192) has the molecular formula C6H4BrF5S and a molecular weight of 283.06 g/mol. Its IUPAC name is (3-bromophenyl)-pentafluoro-lambda6-sulfane.

Molecular Properties

Compound Name(3-bromophenyl)-pentafluoro-lambda6-sulfane
PubChem CID2779192
Molecular FormulaC6H4BrF5S
Molecular Weight283.06 g/mol
Exact Mass281.91
IUPAC Name(3-bromophenyl)-pentafluoro-lambda6-sulfane
SMILESFS(F)(F)(F)(F)c1cccc(Br)c1
InChIInChI=1S/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
InChIKeyQRPMKEUTGAXKSD-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.06
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-pentafluoro-lambda6-sulfane?
The IUPAC name of (3-bromophenyl)-pentafluoro-lambda6-sulfane (CID 2779192) is (3-bromophenyl)-pentafluoro-lambda6-sulfane.
What is the SMILES notation for (3-bromophenyl)-pentafluoro-lambda6-sulfane?
The canonical SMILES for (3-bromophenyl)-pentafluoro-lambda6-sulfane is FS(F)(F)(F)(F)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-pentafluoro-lambda6-sulfane?
The InChIKey is QRPMKEUTGAXKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H.
What are the key properties of (3-bromophenyl)-pentafluoro-lambda6-sulfane?
(3-bromophenyl)-pentafluoro-lambda6-sulfane has a molecular weight of 283.06 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-pentafluoro-lambda6-sulfane is sourced from PubChem (CID 2779192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).