azane;fluoro 4,4,4-trifluorobutane-1-sulfonate

C4H9F4NO3S — CID 175312917

IUPACazane;fluoro 4,4,4-trifluorobutane-1-sulfonate
SMILESN.O=S(=O)(CCCC(F)(F)F)OF
InChIInChI=1S/C4H6F4O3S.H3N/c5-4(6,7)2-1-3-12(9,10)11-8;/h1-3H2;1H3
InChIKeyJBNWGUOGFMTQGA-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.72
Rot. Bonds4

About azane;fluoro 4,4,4-trifluorobutane-1-sulfonate

azane;fluoro 4,4,4-trifluorobutane-1-sulfonate (PubChem CID 175312917) has the molecular formula C4H9F4NO3S and a molecular weight of 227.18 g/mol. Its IUPAC name is azane;fluoro 4,4,4-trifluorobutane-1-sulfonate.

Molecular Properties

Compound Nameazane;fluoro 4,4,4-trifluorobutane-1-sulfonate
PubChem CID175312917
Molecular FormulaC4H9F4NO3S
Molecular Weight227.18 g/mol
Exact Mass227.02
IUPAC Nameazane;fluoro 4,4,4-trifluorobutane-1-sulfonate
SMILESN.O=S(=O)(CCCC(F)(F)F)OF
InChIInChI=1S/C4H6F4O3S.H3N/c5-4(6,7)2-1-3-12(9,10)11-8;/h1-3H2;1H3
InChIKeyJBNWGUOGFMTQGA-UHFFFAOYSA-N
XLogP1.72
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;fluoro 4,4,4-trifluorobutane-1-sulfonate?
The IUPAC name of azane;fluoro 4,4,4-trifluorobutane-1-sulfonate (CID 175312917) is azane;fluoro 4,4,4-trifluorobutane-1-sulfonate.
What is the SMILES notation for azane;fluoro 4,4,4-trifluorobutane-1-sulfonate?
The canonical SMILES for azane;fluoro 4,4,4-trifluorobutane-1-sulfonate is N.O=S(=O)(CCCC(F)(F)F)OF.
What is the InChIKey of azane;fluoro 4,4,4-trifluorobutane-1-sulfonate?
The InChIKey is JBNWGUOGFMTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O3S.H3N/c5-4(6,7)2-1-3-12(9,10)11-8;/h1-3H2;1H3.
What are the key properties of azane;fluoro 4,4,4-trifluorobutane-1-sulfonate?
azane;fluoro 4,4,4-trifluorobutane-1-sulfonate has a molecular weight of 227.18 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;fluoro 4,4,4-trifluorobutane-1-sulfonate is sourced from PubChem (CID 175312917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).