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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Related Compounds

1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137
calcium;fluoro butane-1-sulfonate;hydride
CID 175424220
methyl 10,10,10-trifluorodecane-1-sulfonate
CID 150831281
prop-2-enyl 11,11,11-trifluoroundecane-1-sulfonate
CID 175529510
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
1-O-fluoro 4-O-sulfanyl butane-1,4-disulfonate
CID 140616680
azane;7,7,7-trifluoroheptane-1-sulfonic acid
CID 171928985
fluoro octane-1-sulfonate;zirconium
CID 175196316
4-(3-chloropropylsulfonyl)-1,1,1-trifluorobutane
CID 88547149
azane;9,9,9-trifluorononane-1-sulfonic acid
CID 171929032
fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine
CID 174871702
potassium;fluoro nonane-1-sulfonate;hydride
CID 175529463

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).