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

C10H17F7N2O5S2 — CID 118030896

IUPAC5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCCN(CC)CC(O)CC(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F7N2O5S2/c1-3-19(4-2)6-7(20)5-8(11,12)9(13,14)25(21,22)18-26(23,24)10(15,16)17/h7,18,20H,3-6H2,1-2H3
InChIKeyMOOWPHJJCOJAAZ-UHFFFAOYSA-N
MW442.38 g/mol
LogP1.08
Rot. Bonds10

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

5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (PubChem CID 118030896) has the molecular formula C10H17F7N2O5S2 and a molecular weight of 442.38 g/mol. Its IUPAC name is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
PubChem CID118030896
Molecular FormulaC10H17F7N2O5S2
Molecular Weight442.38 g/mol
Exact Mass442.05
IUPAC Name5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide
SMILESCCN(CC)CC(O)CC(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F7N2O5S2/c1-3-19(4-2)6-7(20)5-8(11,12)9(13,14)25(21,22)18-26(23,24)10(15,16)17/h7,18,20H,3-6H2,1-2H3
InChIKeyMOOWPHJJCOJAAZ-UHFFFAOYSA-N
XLogP1.08
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The IUPAC name of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide (CID 118030896) is 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide.
What is the SMILES notation for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The canonical SMILES for 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is CCN(CC)CC(O)CC(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
The InChIKey is MOOWPHJJCOJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F7N2O5S2/c1-3-19(4-2)6-7(20)5-8(11,12)9(13,14)25(21,22)18-26(23,24)10(15,16)17/h7,18,20H,3-6H2,1-2H3.
What are the key properties of 5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide?
5-(diethylamino)-1,1,2,2-tetrafluoro-4-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide has a molecular weight of 442.38 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 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-hydroxy-N-(trifluoromethylsulfonyl)pentane-1-sulfonamide is sourced from PubChem (CID 118030896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).