[bis(trifluoromethyl)amino]-oxosulfanium;butane

C6H10F6NOS+ — CID 172680213

IUPAC[bis(trifluoromethyl)amino]-oxosulfanium;butane
SMILESCCCC.O=[S+]N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H10.C2F6NOS/c1-3-4-2;3-1(4,5)9(11-10)2(6,7)8/h3-4H2,1-2H3;/q;+1
InChIKeyAHEPLOSCVCSWFJ-UHFFFAOYSA-N
MW258.21 g/mol
LogP3.48
Rot. Bonds2

About [bis(trifluoromethyl)amino]-oxosulfanium;butane

[bis(trifluoromethyl)amino]-oxosulfanium;butane (PubChem CID 172680213) has the molecular formula C6H10F6NOS+ and a molecular weight of 258.21 g/mol. Its IUPAC name is [bis(trifluoromethyl)amino]-oxosulfanium;butane.

Molecular Properties

Compound Name[bis(trifluoromethyl)amino]-oxosulfanium;butane
PubChem CID172680213
Molecular FormulaC6H10F6NOS+
Molecular Weight258.21 g/mol
Exact Mass258.04
IUPAC Name[bis(trifluoromethyl)amino]-oxosulfanium;butane
SMILESCCCC.O=[S+]N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H10.C2F6NOS/c1-3-4-2;3-1(4,5)9(11-10)2(6,7)8/h3-4H2,1-2H3;/q;+1
InChIKeyAHEPLOSCVCSWFJ-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;trichloro(fluoro)methane
CID 159264115
1,1-difluoropropyl(oxo)sulfanium
CID 162541528
(dipropylamino)-oxosulfanium
CID 172751080
butane;chloromethane
CID 23360987
tetrakis(1-sulfinatoethane);tin(4+)
CID 175343513
butane;formaldehyde
CID 19870810
1,1-dimethyl-2-propyl-2-(trifluoromethyl)hydrazine;hydrochloride
CID 175181582
1-ethyl-1-(trifluoromethyl)hydrazine
CID 57296849
4-ethyl-4-fluoroheptane;propane
CID 171657626
butane;guanidine;2,2,2-trifluoroacetic acid
CID 173066595
butane;methane
CID 169432073
butane;octahydrofluoride
CID 173254735

Frequently Asked Questions

What is the IUPAC name of [bis(trifluoromethyl)amino]-oxosulfanium;butane?
The IUPAC name of [bis(trifluoromethyl)amino]-oxosulfanium;butane (CID 172680213) is [bis(trifluoromethyl)amino]-oxosulfanium;butane.
What is the SMILES notation for [bis(trifluoromethyl)amino]-oxosulfanium;butane?
The canonical SMILES for [bis(trifluoromethyl)amino]-oxosulfanium;butane is CCCC.O=[S+]N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [bis(trifluoromethyl)amino]-oxosulfanium;butane?
The InChIKey is AHEPLOSCVCSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C2F6NOS/c1-3-4-2;3-1(4,5)9(11-10)2(6,7)8/h3-4H2,1-2H3;/q;+1.
What are the key properties of [bis(trifluoromethyl)amino]-oxosulfanium;butane?
[bis(trifluoromethyl)amino]-oxosulfanium;butane has a molecular weight of 258.21 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(trifluoromethyl)amino]-oxosulfanium;butane is sourced from PubChem (CID 172680213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).