tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium

C11H20F5NOS — CID 175348825

IUPACtert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium
SMILESCC(C)(C(F)F)C(N[S+]([O-])C(C)(C)C)C(F)C(F)F
InChIInChI=1S/C11H20F5NOS/c1-10(2,3)19(18)17-7(6(12)8(13)14)11(4,5)9(15)16/h6-9,17H,1-5H3
InChIKeyQCVHEWYJKBYHKA-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.30
Rot. Bonds6

About tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium

tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium (PubChem CID 175348825) has the molecular formula C11H20F5NOS and a molecular weight of 309.34 g/mol. Its IUPAC name is tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium.

Molecular Properties

Compound Nametert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium
PubChem CID175348825
Molecular FormulaC11H20F5NOS
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Nametert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium
SMILESCC(C)(C(F)F)C(N[S+]([O-])C(C)(C)C)C(F)C(F)F
InChIInChI=1S/C11H20F5NOS/c1-10(2,3)19(18)17-7(6(12)8(13)14)11(4,5)9(15)16/h6-9,17H,1-5H3
InChIKeyQCVHEWYJKBYHKA-UHFFFAOYSA-N
XLogP3.30
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium?
The IUPAC name of tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium (CID 175348825) is tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium.
What is the SMILES notation for tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium?
The canonical SMILES for tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium is CC(C)(C(F)F)C(N[S+]([O-])C(C)(C)C)C(F)C(F)F.
What is the InChIKey of tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium?
The InChIKey is QCVHEWYJKBYHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F5NOS/c1-10(2,3)19(18)17-7(6(12)8(13)14)11(4,5)9(15)16/h6-9,17H,1-5H3.
What are the key properties of tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium?
tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium has a molecular weight of 309.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-oxido-[(1,1,4,5,5-pentafluoro-2,2-dimethylpentan-3-yl)amino]sulfanium is sourced from PubChem (CID 175348825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).