morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

C5H10F4N2O5S2 — CID 118659656

IUPACmorpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESC1COCCN1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9NO.CHF4NO4S2/c1-3-6-4-2-5-1;2-1(3,4)11(7,8)6-12(5,9)10/h5H,1-4H2;6H
InChIKeyRXXMSNFDCYIJMP-UHFFFAOYSA-N
MW318.27 g/mol
LogP-0.75
Rot. Bonds2

About morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride

morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (PubChem CID 118659656) has the molecular formula C5H10F4N2O5S2 and a molecular weight of 318.27 g/mol. Its IUPAC name is morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound Namemorpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
PubChem CID118659656
Molecular FormulaC5H10F4N2O5S2
Molecular Weight318.27 g/mol
Exact Mass318.00
IUPAC Namemorpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESC1COCCN1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H9NO.CHF4NO4S2/c1-3-6-4-2-5-1;2-1(3,4)11(7,8)6-12(5,9)10/h5H,1-4H2;6H
InChIKeyRXXMSNFDCYIJMP-UHFFFAOYSA-N
XLogP-0.75
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride (CID 118659656) is morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is C1COCCN1.O=S(=O)(F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The InChIKey is RXXMSNFDCYIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CHF4NO4S2/c1-3-6-4-2-5-1;2-1(3,4)11(7,8)6-12(5,9)10/h5H,1-4H2;6H.
What are the key properties of morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride has a molecular weight of 318.27 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 118659656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).