(2,3,4,5,6-pentafluorophenyl) thiohypofluorite

C6F6S — CID 87075514

IUPAC(2,3,4,5,6-pentafluorophenyl) thiohypofluorite
SMILESFSc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F6S/c7-1-2(8)4(10)6(13-12)5(11)3(1)9
InChIKeyAFHFSIUPELOWIB-UHFFFAOYSA-N
MW218.12 g/mol
LogP3.36
Rot. Bonds1

About (2,3,4,5,6-pentafluorophenyl) thiohypofluorite

(2,3,4,5,6-pentafluorophenyl) thiohypofluorite (PubChem CID 87075514) has the molecular formula C6F6S and a molecular weight of 218.12 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl) thiohypofluorite.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl) thiohypofluorite
PubChem CID87075514
Molecular FormulaC6F6S
Molecular Weight218.12 g/mol
Exact Mass217.96
IUPAC Name(2,3,4,5,6-pentafluorophenyl) thiohypofluorite
SMILESFSc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6F6S/c7-1-2(8)4(10)6(13-12)5(11)3(1)9
InChIKeyAFHFSIUPELOWIB-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2,3,4,5,6-pentafluorophenyl) thiohypofluorite?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl) thiohypofluorite (CID 87075514) is (2,3,4,5,6-pentafluorophenyl) thiohypofluorite.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl) thiohypofluorite?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl) thiohypofluorite is FSc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl) thiohypofluorite?
The InChIKey is AFHFSIUPELOWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F6S/c7-1-2(8)4(10)6(13-12)5(11)3(1)9.
What are the key properties of (2,3,4,5,6-pentafluorophenyl) thiohypofluorite?
(2,3,4,5,6-pentafluorophenyl) thiohypofluorite has a molecular weight of 218.12 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl) thiohypofluorite is sourced from PubChem (CID 87075514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).