1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide

C10H14F9NO2S — CID 142744142

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO2S/c1-4-5-6(2)20(3)23(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h6H,4-5H2,1-3H3
InChIKeyQUUDXUHHJZSJRR-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.86
Rot. Bonds7

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide (PubChem CID 142744142) has the molecular formula C10H14F9NO2S and a molecular weight of 383.28 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide
PubChem CID142744142
Molecular FormulaC10H14F9NO2S
Molecular Weight383.28 g/mol
Exact Mass383.06
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F9NO2S/c1-4-5-6(2)20(3)23(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h6H,4-5H2,1-3H3
InChIKeyQUUDXUHHJZSJRR-UHFFFAOYSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide (CID 142744142) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide is CCCC(C)N(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-pentan-2-ylbutane-1-sulfonamide?
The InChIKey is QUUDXUHHJZSJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F9NO2S/c1-4-5-6(2)20(3)23(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-pentan-2-ylbutane-1-sulfonamide has a molecular weight of 383.28 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 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-pentan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 142744142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).