tert-butyl-(1-fluoroethylamino)-oxidosulfanium

C6H14FNOS — CID 174043686

IUPACtert-butyl-(1-fluoroethylamino)-oxidosulfanium
SMILESCC(F)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C6H14FNOS/c1-5(7)8-10(9)6(2,3)4/h5,8H,1-4H3
InChIKeyMROUTUPTFUODHQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.35
Rot. Bonds2

About tert-butyl-(1-fluoroethylamino)-oxidosulfanium

tert-butyl-(1-fluoroethylamino)-oxidosulfanium (PubChem CID 174043686) has the molecular formula C6H14FNOS and a molecular weight of 167.25 g/mol. Its IUPAC name is tert-butyl-(1-fluoroethylamino)-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-(1-fluoroethylamino)-oxidosulfanium
PubChem CID174043686
Molecular FormulaC6H14FNOS
Molecular Weight167.25 g/mol
Exact Mass167.08
IUPAC Nametert-butyl-(1-fluoroethylamino)-oxidosulfanium
SMILESCC(F)N[S+]([O-])C(C)(C)C
InChIInChI=1S/C6H14FNOS/c1-5(7)8-10(9)6(2,3)4/h5,8H,1-4H3
InChIKeyMROUTUPTFUODHQ-UHFFFAOYSA-N
XLogP1.35
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-fluoroethylamino)-oxidosulfanium?
The IUPAC name of tert-butyl-(1-fluoroethylamino)-oxidosulfanium (CID 174043686) is tert-butyl-(1-fluoroethylamino)-oxidosulfanium.
What is the SMILES notation for tert-butyl-(1-fluoroethylamino)-oxidosulfanium?
The canonical SMILES for tert-butyl-(1-fluoroethylamino)-oxidosulfanium is CC(F)N[S+]([O-])C(C)(C)C.
What is the InChIKey of tert-butyl-(1-fluoroethylamino)-oxidosulfanium?
The InChIKey is MROUTUPTFUODHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNOS/c1-5(7)8-10(9)6(2,3)4/h5,8H,1-4H3.
What are the key properties of tert-butyl-(1-fluoroethylamino)-oxidosulfanium?
tert-butyl-(1-fluoroethylamino)-oxidosulfanium has a molecular weight of 167.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-fluoroethylamino)-oxidosulfanium is sourced from PubChem (CID 174043686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).