3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide

C12H20F6N2O3S — CID 58855380

IUPAC3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H20F6N2O3S/c1-19(3-4-20-5-7-23-8-6-20)24(21,22)9-2-11(15,16)12(17,18)10(13)14/h10H,2-9H2,1H3
InChIKeyWCEIXDNADIRKMZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.51
Rot. Bonds9

About 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide

3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide (PubChem CID 58855380) has the molecular formula C12H20F6N2O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
PubChem CID58855380
Molecular FormulaC12H20F6N2O3S
Molecular Weight386.36 g/mol
Exact Mass386.11
IUPAC Name3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide
SMILESCN(CCN1CCOCC1)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H20F6N2O3S/c1-19(3-4-20-5-7-23-8-6-20)24(21,22)9-2-11(15,16)12(17,18)10(13)14/h10H,2-9H2,1H3
InChIKeyWCEIXDNADIRKMZ-UHFFFAOYSA-N
XLogP1.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
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 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide (CID 58855380) is 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide is CN(CCN1CCOCC1)S(=O)(=O)CCC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
The InChIKey is WCEIXDNADIRKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6N2O3S/c1-19(3-4-20-5-7-23-8-6-20)24(21,22)9-2-11(15,16)12(17,18)10(13)14/h10H,2-9H2,1H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide?
3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide has a molecular weight of 386.36 g/mol, XLogP of 1.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentane-1-sulfonamide is sourced from PubChem (CID 58855380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).