1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide

C14H16F14N2O3S — CID 58855411

IUPAC1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H16F14N2O3S/c15-8(16)11(21,22)9(17,18)7-10(19,20)12(23,24)13(25,26)14(27,28)34(31,32)29-1-2-30-3-5-33-6-4-30/h8,29H,1-7H2
InChIKeyWHIQDBSPXXLAKR-UHFFFAOYSA-N
MW558.33 g/mol
LogP3.66
Rot. Bonds12

About 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide

1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide (PubChem CID 58855411) has the molecular formula C14H16F14N2O3S and a molecular weight of 558.33 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide
PubChem CID58855411
Molecular FormulaC14H16F14N2O3S
Molecular Weight558.33 g/mol
Exact Mass558.07
IUPAC Name1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H16F14N2O3S/c15-8(16)11(21,22)9(17,18)7-10(19,20)12(23,24)13(25,26)14(27,28)34(31,32)29-1-2-30-3-5-33-6-4-30/h8,29H,1-7H2
InChIKeyWHIQDBSPXXLAKR-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.33
LogP ≤ 53.66
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 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide (CID 58855411) is 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide is O=S(=O)(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide?
The InChIKey is WHIQDBSPXXLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F14N2O3S/c15-8(16)11(21,22)9(17,18)7-10(19,20)12(23,24)13(25,26)14(27,28)34(31,32)29-1-2-30-3-5-33-6-4-30/h8,29H,1-7H2.
What are the key properties of 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide?
1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide has a molecular weight of 558.33 g/mol, XLogP of 3.66, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,6,6,7,7,8,8-tetradecafluoro-N-(2-morpholin-4-ylethyl)octane-1-sulfonamide is sourced from PubChem (CID 58855411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).