1-fluorosulfonyloxyhexane

C6H13FO3S — CID 13414497

IUPAC1-fluorosulfonyloxyhexane
SMILESCCCCCCOS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKeyMPEIQYBIPBWDQV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.80
Rot. Bonds6

About 1-fluorosulfonyloxyhexane

1-fluorosulfonyloxyhexane (PubChem CID 13414497) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-fluorosulfonyloxyhexane.

Molecular Properties

Compound Name1-fluorosulfonyloxyhexane
PubChem CID13414497
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name1-fluorosulfonyloxyhexane
SMILESCCCCCCOS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3
InChIKeyMPEIQYBIPBWDQV-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxyhexane?
The IUPAC name of 1-fluorosulfonyloxyhexane (CID 13414497) is 1-fluorosulfonyloxyhexane.
What is the SMILES notation for 1-fluorosulfonyloxyhexane?
The canonical SMILES for 1-fluorosulfonyloxyhexane is CCCCCCOS(=O)(=O)F.
What is the InChIKey of 1-fluorosulfonyloxyhexane?
The InChIKey is MPEIQYBIPBWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3.
What are the key properties of 1-fluorosulfonyloxyhexane?
1-fluorosulfonyloxyhexane has a molecular weight of 184.23 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxyhexane is sourced from PubChem (CID 13414497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).