1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide

C8H10F9NO3S — CID 175332736

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO3S/c1-4(2,19)3-18-22(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18-19H,3H2,1-2H3
InChIKeyIOZYWUSTPUMCKJ-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.10
Rot. Bonds6

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide

1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide (PubChem CID 175332736) has the molecular formula C8H10F9NO3S and a molecular weight of 371.22 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
PubChem CID175332736
Molecular FormulaC8H10F9NO3S
Molecular Weight371.22 g/mol
Exact Mass371.02
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NO3S/c1-4(2,19)3-18-22(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18-19H,3H2,1-2H3
InChIKeyIOZYWUSTPUMCKJ-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-propylpentane-1-sulfonamide
CID 19931113
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptacosafluoro-N-propyltridecane-1-sulfonamide
CID 165364439
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-hydroxyethyl)decane-1-sulfonamide
CID 57144434
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyprop-2-enyl)octane-1-sulfonamide
CID 165362509
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonylamino)acetic acid
CID 139595852
2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethyl acetate
CID 129294908
azanium 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)ethanolate
CID 134814664
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(4-hydroxybutyl)hexane-1-sulfonamide
CID 141055320
lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
CID 173065496
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)propyl-hydroxy-dimethylazanium
CID 163324069
N-[2-(diethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 154928654
N,N-dimethyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propan-1-amine oxide
CID 138395010

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide (CID 175332736) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide is CC(C)(O)CNS(=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-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
The InChIKey is IOZYWUSTPUMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9NO3S/c1-4(2,19)3-18-22(20,21)8(16,17)6(11,12)5(9,10)7(13,14)15/h18-19H,3H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide?
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide has a molecular weight of 371.22 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 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-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 175332736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).