1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide

C10H14F9NO3S — CID 130343065

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide
SMILESCCCOCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO3S/c1-3-5-23-6-4-20(2)24(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-6H2,1-2H3
InChIKeyCKORICLXOQDQDP-UHFFFAOYSA-N
MW399.28 g/mol
LogP3.10
Rot. Bonds9

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide (PubChem CID 130343065) has the molecular formula C10H14F9NO3S and a molecular weight of 399.28 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide
PubChem CID130343065
Molecular FormulaC10H14F9NO3S
Molecular Weight399.28 g/mol
Exact Mass399.06
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide
SMILESCCCOCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO3S/c1-3-5-23-6-4-20(2)24(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-6H2,1-2H3
InChIKeyCKORICLXOQDQDP-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide (CID 130343065) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide is CCCOCCN(C)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-methyl-N-(2-propoxyethyl)butane-1-sulfonamide?
The InChIKey is CKORICLXOQDQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9NO3S/c1-3-5-23-6-4-20(2)24(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-methyl-N-(2-propoxyethyl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide has a molecular weight of 399.28 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-(2-propoxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 130343065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).