N-ethylethanamine;trifluorosulfanium

C4H11F3NS+ — CID 172847803

IUPACN-ethylethanamine;trifluorosulfanium
SMILESCCNCC.F[S+](F)F
InChIInChI=1S/C4H11N.F3S/c1-3-5-4-2;1-4(2)3/h5H,3-4H2,1-2H3;/q;+1
InChIKeyXQXIKBFPKFPNGI-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.87
Rot. Bonds2

About N-ethylethanamine;trifluorosulfanium

N-ethylethanamine;trifluorosulfanium (PubChem CID 172847803) has the molecular formula C4H11F3NS+ and a molecular weight of 162.20 g/mol. Its IUPAC name is N-ethylethanamine;trifluorosulfanium.

Molecular Properties

Compound NameN-ethylethanamine;trifluorosulfanium
PubChem CID172847803
Molecular FormulaC4H11F3NS+
Molecular Weight162.20 g/mol
Exact Mass162.06
IUPAC NameN-ethylethanamine;trifluorosulfanium
SMILESCCNCC.F[S+](F)F
InChIInChI=1S/C4H11N.F3S/c1-3-5-4-2;1-4(2)3/h5H,3-4H2,1-2H3;/q;+1
InChIKeyXQXIKBFPKFPNGI-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-ethylethanamine;trifluorosulfanium?
The IUPAC name of N-ethylethanamine;trifluorosulfanium (CID 172847803) is N-ethylethanamine;trifluorosulfanium.
What is the SMILES notation for N-ethylethanamine;trifluorosulfanium?
The canonical SMILES for N-ethylethanamine;trifluorosulfanium is CCNCC.F[S+](F)F.
What is the InChIKey of N-ethylethanamine;trifluorosulfanium?
The InChIKey is XQXIKBFPKFPNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.F3S/c1-3-5-4-2;1-4(2)3/h5H,3-4H2,1-2H3;/q;+1.
What are the key properties of N-ethylethanamine;trifluorosulfanium?
N-ethylethanamine;trifluorosulfanium has a molecular weight of 162.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;trifluorosulfanium is sourced from PubChem (CID 172847803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).