[5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane

C15H23F5S — CID 91550352

IUPAC[5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane
SMILESCCCCc1ccc(CC(C)CC)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C15H23F5S/c1-4-6-7-13-8-9-14(10-12(3)5-2)15(11-13)21(16,17,18,19)20/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyJHSKZMZHRPFFME-UHFFFAOYSA-N
MW330.41 g/mol
LogP7.28
Rot. Bonds7

About [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane

[5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane (PubChem CID 91550352) has the molecular formula C15H23F5S and a molecular weight of 330.41 g/mol. Its IUPAC name is [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane
PubChem CID91550352
Molecular FormulaC15H23F5S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name[5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane
SMILESCCCCc1ccc(CC(C)CC)c(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C15H23F5S/c1-4-6-7-13-8-9-14(10-12(3)5-2)15(11-13)21(16,17,18,19)20/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyJHSKZMZHRPFFME-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane (CID 91550352) is [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane is CCCCc1ccc(CC(C)CC)c(S(F)(F)(F)(F)F)c1.
What is the InChIKey of [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is JHSKZMZHRPFFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F5S/c1-4-6-7-13-8-9-14(10-12(3)5-2)15(11-13)21(16,17,18,19)20/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane?
[5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 330.41 g/mol, XLogP of 7.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-2-(2-methylbutyl)phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 91550352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).