[2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane

C6H3F15S3 — CID 87317955

IUPAC[2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(S(F)(F)(F)(F)F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H3F15S3/c7-22(8,9,10,11)4-1-2-5(23(12,13,14,15)16)6(3-4)24(17,18,19,20)21/h1-3H
InChIKeyZXVBGCMANBZADY-UHFFFAOYSA-N
MW456.26 g/mol
LogP9.66
Rot. Bonds3

About [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane

[2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane (PubChem CID 87317955) has the molecular formula C6H3F15S3 and a molecular weight of 456.26 g/mol. Its IUPAC name is [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane
PubChem CID87317955
Molecular FormulaC6H3F15S3
Molecular Weight456.26 g/mol
Exact Mass455.92
IUPAC Name[2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(S(F)(F)(F)(F)F)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C6H3F15S3/c7-22(8,9,10,11)4-1-2-5(23(12,13,14,15)16)6(3-4)24(17,18,19,20)21/h1-3H
InChIKeyZXVBGCMANBZADY-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.26
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane (CID 87317955) is [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(S(F)(F)(F)(F)F)c(S(F)(F)(F)(F)F)c1.
What is the InChIKey of [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is ZXVBGCMANBZADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F15S3/c7-22(8,9,10,11)4-1-2-5(23(12,13,14,15)16)6(3-4)24(17,18,19,20)21/h1-3H.
What are the key properties of [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane?
[2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 456.26 g/mol, XLogP of 9.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(pentafluoro-λ6-sulfanyl)phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 87317955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).