octadecane-1-sulfonyl fluoride

C18H37FO2S — CID 10131877

IUPACoctadecane-1-sulfonyl fluoride
SMILESCCCCCCCCCCCCCCCCCCS(=O)(=O)F
InChIInChI=1S/C18H37FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
InChIKeySZXIBISKCHYMAR-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.55
Rot. Bonds17

About octadecane-1-sulfonyl fluoride

octadecane-1-sulfonyl fluoride (PubChem CID 10131877) has the molecular formula C18H37FO2S and a molecular weight of 336.56 g/mol. Its IUPAC name is octadecane-1-sulfonyl fluoride.

Molecular Properties

Compound Nameoctadecane-1-sulfonyl fluoride
PubChem CID10131877
Molecular FormulaC18H37FO2S
Molecular Weight336.56 g/mol
Exact Mass336.25
IUPAC Nameoctadecane-1-sulfonyl fluoride
SMILESCCCCCCCCCCCCCCCCCCS(=O)(=O)F
InChIInChI=1S/C18H37FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
InChIKeySZXIBISKCHYMAR-UHFFFAOYSA-N
XLogP6.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.55
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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Frequently Asked Questions

What is the IUPAC name of octadecane-1-sulfonyl fluoride?
The IUPAC name of octadecane-1-sulfonyl fluoride (CID 10131877) is octadecane-1-sulfonyl fluoride.
What is the SMILES notation for octadecane-1-sulfonyl fluoride?
The canonical SMILES for octadecane-1-sulfonyl fluoride is CCCCCCCCCCCCCCCCCCS(=O)(=O)F.
What is the InChIKey of octadecane-1-sulfonyl fluoride?
The InChIKey is SZXIBISKCHYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3.
What are the key properties of octadecane-1-sulfonyl fluoride?
octadecane-1-sulfonyl fluoride has a molecular weight of 336.56 g/mol, XLogP of 6.55, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecane-1-sulfonyl fluoride is sourced from PubChem (CID 10131877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).