1-fluorooctane-1-sulfonamide

C8H18FNO2S — CID 88724197

IUPAC1-fluorooctane-1-sulfonamide
SMILESCCCCCCCC(F)S(N)(=O)=O
InChIInChI=1S/C8H18FNO2S/c1-2-3-4-5-6-7-8(9)13(10,11)12/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyVXMFRHNYLOXELA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.93
Rot. Bonds7

About 1-fluorooctane-1-sulfonamide

1-fluorooctane-1-sulfonamide (PubChem CID 88724197) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-fluorooctane-1-sulfonamide.

Molecular Properties

Compound Name1-fluorooctane-1-sulfonamide
PubChem CID88724197
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name1-fluorooctane-1-sulfonamide
SMILESCCCCCCCC(F)S(N)(=O)=O
InChIInChI=1S/C8H18FNO2S/c1-2-3-4-5-6-7-8(9)13(10,11)12/h8H,2-7H2,1H3,(H2,10,11,12)
InChIKeyVXMFRHNYLOXELA-UHFFFAOYSA-N
XLogP1.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dodecane-1-sulfonamide
CID 110625
Hexadecane-1-sulfonamide
CID 19890540
1-Octanesulfonamide
CID 229597
N-methylsulfonyloctane-1-sulfonamide
CID 479458
N-sulfamoyloctane-1-sulfonamide
CID 479459
Fluorooctanesulfonic acid
CID 21946954
Perfluoro octane sulfonate
CID 22483718
Perfluoro octane sulphonamide
CID 129714875
8-fluoro-N-methyloctane-1-sulfonamide
CID 91331565
N-methyl fluoroctane sulfonamide
CID 129829200
n-Methyl fluorooctane sulfonamide
CID 129849786
1-Decanesulfonamide
CID 5070648

Frequently Asked Questions

What is the IUPAC name of 1-fluorooctane-1-sulfonamide?
The IUPAC name of 1-fluorooctane-1-sulfonamide (CID 88724197) is 1-fluorooctane-1-sulfonamide.
What is the SMILES notation for 1-fluorooctane-1-sulfonamide?
The canonical SMILES for 1-fluorooctane-1-sulfonamide is CCCCCCCC(F)S(N)(=O)=O.
What is the InChIKey of 1-fluorooctane-1-sulfonamide?
The InChIKey is VXMFRHNYLOXELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-2-3-4-5-6-7-8(9)13(10,11)12/h8H,2-7H2,1H3,(H2,10,11,12).
What are the key properties of 1-fluorooctane-1-sulfonamide?
1-fluorooctane-1-sulfonamide has a molecular weight of 211.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorooctane-1-sulfonamide is sourced from PubChem (CID 88724197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).