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

C8H14F4N2O3S — CID 58855403

IUPAC1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O3S/c9-7(10)8(11,12)18(15,16)13-1-2-14-3-5-17-6-4-14/h7,13H,1-6H2
InChIKeyCWERXWBQSMSFQI-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.10
Rot. Bonds6

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

1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide (PubChem CID 58855403) has the molecular formula C8H14F4N2O3S and a molecular weight of 294.27 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
PubChem CID58855403
Molecular FormulaC8H14F4N2O3S
Molecular Weight294.27 g/mol
Exact Mass294.07
IUPAC Name1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O3S/c9-7(10)8(11,12)18(15,16)13-1-2-14-3-5-17-6-4-14/h7,13H,1-6H2
InChIKeyCWERXWBQSMSFQI-UHFFFAOYSA-N
XLogP0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.10
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-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide (CID 58855403) is 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
The InChIKey is CWERXWBQSMSFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2O3S/c9-7(10)8(11,12)18(15,16)13-1-2-14-3-5-17-6-4-14/h7,13H,1-6H2.
What are the key properties of 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide?
1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide has a molecular weight of 294.27 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N-(2-morpholin-4-ylethyl)ethanesulfonamide is sourced from PubChem (CID 58855403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).