6-fluorohexane-1-sulfonyl fluoride

C6H12F2O2S — CID 9748

IUPAC6-fluorohexane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCF
InChIInChI=1S/C6H12F2O2S/c7-5-3-1-2-4-6-11(8,9)10/h1-6H2
InChIKeyVBDIRKCYFKHOAR-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.82
Rot. Bonds6

About 6-fluorohexane-1-sulfonyl fluoride

6-fluorohexane-1-sulfonyl fluoride (PubChem CID 9748) has the molecular formula C6H12F2O2S and a molecular weight of 186.22 g/mol. Its IUPAC name is 6-fluorohexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name6-fluorohexane-1-sulfonyl fluoride
PubChem CID9748
Molecular FormulaC6H12F2O2S
Molecular Weight186.22 g/mol
Exact Mass186.05
IUPAC Name6-fluorohexane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCF
InChIInChI=1S/C6H12F2O2S/c7-5-3-1-2-4-6-11(8,9)10/h1-6H2
InChIKeyVBDIRKCYFKHOAR-UHFFFAOYSA-N
XLogP1.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hexanesulfonyl fluoride
CID 103340
Butanesulfonyl fluoride, 4-fluoro-
CID 12616
Pentanesulfonyl fluoride, 5-fluoro-
CID 67797
Cyclohexanesulfonyl fluoride
CID 222491
4:2 Fluorotelomer sulfonate
CID 20734542
Hexanesulfonyl chloride, 6-fluoro-
CID 9747
Pentane-1-sulfonyl fluoride
CID 22935878
Perfluoro hexane sulfonate
CID 85964869
Pentane-1,5-disulfonyl difluoride
CID 126970733
Heptane-4-sulfonyl fluoride
CID 165862867
5-Fluoropentane-1-sulfonyl chloride
CID 3029710
5,5,5-Trifluoropentane-1-sulfonyl chloride
CID 56604710

Frequently Asked Questions

What is the IUPAC name of 6-fluorohexane-1-sulfonyl fluoride?
The IUPAC name of 6-fluorohexane-1-sulfonyl fluoride (CID 9748) is 6-fluorohexane-1-sulfonyl fluoride.
What is the SMILES notation for 6-fluorohexane-1-sulfonyl fluoride?
The canonical SMILES for 6-fluorohexane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCCF.
What is the InChIKey of 6-fluorohexane-1-sulfonyl fluoride?
The InChIKey is VBDIRKCYFKHOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2S/c7-5-3-1-2-4-6-11(8,9)10/h1-6H2.
What are the key properties of 6-fluorohexane-1-sulfonyl fluoride?
6-fluorohexane-1-sulfonyl fluoride has a molecular weight of 186.22 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexane-1-sulfonyl fluoride is sourced from PubChem (CID 9748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).