1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane

C7H14F4N2O3S — CID 106295813

IUPAC1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane
SMILESCN(CCCO)S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H14F4N2O3S/c1-13(3-2-4-14)17(15,16)12-5-7(10,11)6(8)9/h6,12,14H,2-5H2,1H3
InChIKeyLGOOLDDAJJTVMT-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.04
Rot. Bonds8

About 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane

1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane (PubChem CID 106295813) has the molecular formula C7H14F4N2O3S and a molecular weight of 282.26 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane
PubChem CID106295813
Molecular FormulaC7H14F4N2O3S
Molecular Weight282.26 g/mol
Exact Mass282.07
IUPAC Name1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane
SMILESCN(CCCO)S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C7H14F4N2O3S/c1-13(3-2-4-14)17(15,16)12-5-7(10,11)6(8)9/h6,12,14H,2-5H2,1H3
InChIKeyLGOOLDDAJJTVMT-UHFFFAOYSA-N
XLogP0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane (CID 106295813) is 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane is CN(CCCO)S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane?
The InChIKey is LGOOLDDAJJTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F4N2O3S/c1-13(3-2-4-14)17(15,16)12-5-7(10,11)6(8)9/h6,12,14H,2-5H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane?
1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane has a molecular weight of 282.26 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-[[3-hydroxypropyl(methyl)sulfamoyl]amino]propane is sourced from PubChem (CID 106295813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).