1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide

C10H14F9NO4S — CID 102441610

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO4S/c1-23-5-3-20(4-6-24-2)25(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-6H2,1-2H3
InChIKeyHDBRXVSINCDTJD-UHFFFAOYSA-N
MW415.27 g/mol
LogP2.34
Rot. Bonds10

About 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide (PubChem CID 102441610) has the molecular formula C10H14F9NO4S and a molecular weight of 415.27 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
PubChem CID102441610
Molecular FormulaC10H14F9NO4S
Molecular Weight415.27 g/mol
Exact Mass415.05
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO4S/c1-23-5-3-20(4-6-24-2)25(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-6H2,1-2H3
InChIKeyHDBRXVSINCDTJD-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
CID 118689
1-Pentanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-
CID 110553
1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
CID 118686
Ethyl(2-methoxyethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 87081346
N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide
CID 155047
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(2-methoxyethoxy)ethyl]heptane-1-sulfonamide
CID 173195
1,1,2,3,3,3-Hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulphonamide
CID 3022204
1,1,2,2,3,3,4,4-Octafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulphonamide
CID 3022848
1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N,N-bis(2-methoxyethyl)hexane-1-sulfonamide
CID 125499013
Bis(trifluoromethylsulfonyl)azanide;diethyl-(2-methoxyethyl)-methylazanium
CID 11487123
N,N-bis(2-methoxyethyl)-1,1,1-trifluoro-methanesulfonamide
CID 102441605
N,N-bis(2-methoxyethyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide
CID 102441607

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide (CID 102441610) is 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide is COCCN(CCOC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
The InChIKey is HDBRXVSINCDTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9NO4S/c1-23-5-3-20(4-6-24-2)25(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-6H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide has a molecular weight of 415.27 g/mol, XLogP of 2.34, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 102441610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).