5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide

C11H19F7N2O5S2 — CID 118030875

IUPAC5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)OC
InChIInChI=1S/C11H19F7N2O5S2/c1-4-20(5-2)7-8(25-3)6-9(12,13)10(14,15)26(21,22)19-27(23,24)11(16,17)18/h8,19H,4-7H2,1-3H3
InChIKeyGANWLVOGVPNUNJ-UHFFFAOYSA-N
MW456.40 g/mol
LogP1.73
Rot. Bonds11

About 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide

5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (PubChem CID 118030875) has the molecular formula C11H19F7N2O5S2 and a molecular weight of 456.40 g/mol. Its IUPAC name is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
PubChem CID118030875
Molecular FormulaC11H19F7N2O5S2
Molecular Weight456.40 g/mol
Exact Mass456.06
IUPAC Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)OC
InChIInChI=1S/C11H19F7N2O5S2/c1-4-20(5-2)7-8(25-3)6-9(12,13)10(14,15)26(21,22)19-27(23,24)11(16,17)18/h8,19H,4-7H2,1-3H3
InChIKeyGANWLVOGVPNUNJ-UHFFFAOYSA-N
XLogP1.73
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The IUPAC name of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (CID 118030875) is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.
What is the SMILES notation for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The canonical SMILES for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is CCN(CC)CC(CC(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)OC.
What is the InChIKey of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The InChIKey is GANWLVOGVPNUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F7N2O5S2/c1-4-20(5-2)7-8(25-3)6-9(12,13)10(14,15)26(21,22)19-27(23,24)11(16,17)18/h8,19H,4-7H2,1-3H3.
What are the key properties of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide has a molecular weight of 456.40 g/mol, XLogP of 1.73, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-methoxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is sourced from PubChem (CID 118030875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).