1-fluorosulfonyloxypentane

C5H11FO3S — CID 87221194

IUPAC1-fluorosulfonyloxypentane
SMILESCCCCCOS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3
InChIKeyXTFDSIUWLQNMDA-UHFFFAOYSA-N
MW170.20 g/mol
LogP1.41
Rot. Bonds5

About 1-fluorosulfonyloxypentane

1-fluorosulfonyloxypentane (PubChem CID 87221194) has the molecular formula C5H11FO3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 1-fluorosulfonyloxypentane.

Molecular Properties

Compound Name1-fluorosulfonyloxypentane
PubChem CID87221194
Molecular FormulaC5H11FO3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name1-fluorosulfonyloxypentane
SMILESCCCCCOS(=O)(=O)F
InChIInChI=1S/C5H11FO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3
InChIKeyXTFDSIUWLQNMDA-UHFFFAOYSA-N
XLogP1.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 51.41
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-fluorosulfonyloxypentane?
The IUPAC name of 1-fluorosulfonyloxypentane (CID 87221194) is 1-fluorosulfonyloxypentane.
What is the SMILES notation for 1-fluorosulfonyloxypentane?
The canonical SMILES for 1-fluorosulfonyloxypentane is CCCCCOS(=O)(=O)F.
What is the InChIKey of 1-fluorosulfonyloxypentane?
The InChIKey is XTFDSIUWLQNMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3.
What are the key properties of 1-fluorosulfonyloxypentane?
1-fluorosulfonyloxypentane has a molecular weight of 170.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxypentane is sourced from PubChem (CID 87221194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).