1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane

C4H4F6NO2S- — CID 91273389

IUPAC1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane
SMILESO=S([O-])N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-3(6,7)1-11(14(12)13)2-4(8,9)10/h1-2H2,(H,12,13)/p-1
InChIKeyDXLHZHMEALPCMW-UHFFFAOYSA-M
MW244.14 g/mol
LogP1.21
Rot. Bonds3

About 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane

1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane (PubChem CID 91273389) has the molecular formula C4H4F6NO2S- and a molecular weight of 244.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane
PubChem CID91273389
Molecular FormulaC4H4F6NO2S-
Molecular Weight244.14 g/mol
Exact Mass243.99
IUPAC Name1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane
SMILESO=S([O-])N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-3(6,7)1-11(14(12)13)2-4(8,9)10/h1-2H2,(H,12,13)/p-1
InChIKeyDXLHZHMEALPCMW-UHFFFAOYSA-M
XLogP1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane?
The IUPAC name of 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane (CID 91273389) is 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane?
The canonical SMILES for 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane is O=S([O-])N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane?
The InChIKey is DXLHZHMEALPCMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5F6NO2S/c5-3(6,7)1-11(14(12)13)2-4(8,9)10/h1-2H2,(H,12,13)/p-1.
What are the key properties of 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane?
1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane has a molecular weight of 244.14 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[sulfinato(2,2,2-trifluoroethyl)amino]ethane is sourced from PubChem (CID 91273389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).