1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane

C10H5F9O3S-2 — CID 154509780

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane
SMILESO=S([O-])([O-])(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F9O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21,22)6-4-2-1-3-5-6/h1-5H,(H2,20,21,22)/p-2
InChIKeyZZLITFHCKMENEO-UHFFFAOYSA-L
MW376.20 g/mol
LogP3.55
Rot. Bonds4

About 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane

1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane (PubChem CID 154509780) has the molecular formula C10H5F9O3S-2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane
PubChem CID154509780
Molecular FormulaC10H5F9O3S-2
Molecular Weight376.20 g/mol
Exact Mass375.98
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane
SMILESO=S([O-])([O-])(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F9O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21,22)6-4-2-1-3-5-6/h1-5H,(H2,20,21,22)/p-2
InChIKeyZZLITFHCKMENEO-UHFFFAOYSA-L
XLogP3.55
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane (CID 154509780) is 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane is O=S([O-])([O-])(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane?
The InChIKey is ZZLITFHCKMENEO-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7F9O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21,22)6-4-2-1-3-5-6/h1-5H,(H2,20,21,22)/p-2.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane?
1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane has a molecular weight of 376.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutyl-dioxido-oxo-phenyl-λ6-sulfane is sourced from PubChem (CID 154509780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).