tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium

C10H18F3NOS — CID 175485360

IUPACtert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium
SMILESCC(C)(C)[S+]([O-])NC(C=CF)C(F)CCF
InChIInChI=1S/C10H18F3NOS/c1-10(2,3)16(15)14-9(5-7-12)8(13)4-6-11/h5,7-9,14H,4,6H2,1-3H3
InChIKeyZGJZUYZGSCPVGY-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.59
Rot. Bonds6

About tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium

tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium (PubChem CID 175485360) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium.

Molecular Properties

Compound Nametert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium
PubChem CID175485360
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Nametert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium
SMILESCC(C)(C)[S+]([O-])NC(C=CF)C(F)CCF
InChIInChI=1S/C10H18F3NOS/c1-10(2,3)16(15)14-9(5-7-12)8(13)4-6-11/h5,7-9,14H,4,6H2,1-3H3
InChIKeyZGJZUYZGSCPVGY-UHFFFAOYSA-N
XLogP2.59
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.59
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-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium?
The IUPAC name of tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium (CID 175485360) is tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium.
What is the SMILES notation for tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium?
The canonical SMILES for tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium is CC(C)(C)[S+]([O-])NC(C=CF)C(F)CCF.
What is the InChIKey of tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium?
The InChIKey is ZGJZUYZGSCPVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-10(2,3)16(15)14-9(5-7-12)8(13)4-6-11/h5,7-9,14H,4,6H2,1-3H3.
What are the key properties of tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium?
tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium has a molecular weight of 257.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-oxido-(1,4,6-trifluorohex-1-en-3-ylamino)sulfanium is sourced from PubChem (CID 175485360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).