1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide

C8H13F5N2O3S — CID 58855519

IUPAC1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5N2O3S/c9-7(10,11)8(12,13)19(16,17)14-1-2-15-3-5-18-6-4-15/h14H,1-6H2
InChIKeyOIUUTAMOWCEGAZ-UHFFFAOYSA-N
MW312.26 g/mol
LogP0.39
Rot. Bonds5

About 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide

1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide (PubChem CID 58855519) has the molecular formula C8H13F5N2O3S and a molecular weight of 312.26 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
PubChem CID58855519
Molecular FormulaC8H13F5N2O3S
Molecular Weight312.26 g/mol
Exact Mass312.06
IUPAC Name1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F5N2O3S/c9-7(10,11)8(12,13)19(16,17)14-1-2-15-3-5-18-6-4-15/h14H,1-6H2
InChIKeyOIUUTAMOWCEGAZ-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide (CID 58855519) is 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The InChIKey is OIUUTAMOWCEGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5N2O3S/c9-7(10,11)8(12,13)19(16,17)14-1-2-15-3-5-18-6-4-15/h14H,1-6H2.
What are the key properties of 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide has a molecular weight of 312.26 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide is sourced from PubChem (CID 58855519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).