dodecane-1-sulfonyl fluoride

C12H25FO2S — CID 18516661

IUPACdodecane-1-sulfonyl fluoride
SMILESCCCCCCCCCCCCS(=O)(=O)F
InChIInChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
InChIKeyUVLRFDMRDPQRSM-UHFFFAOYSA-N
MW252.39 g/mol
LogP4.21
Rot. Bonds11

About dodecane-1-sulfonyl fluoride

dodecane-1-sulfonyl fluoride (PubChem CID 18516661) has the molecular formula C12H25FO2S and a molecular weight of 252.39 g/mol. Its IUPAC name is dodecane-1-sulfonyl fluoride.

Molecular Properties

Compound Namedodecane-1-sulfonyl fluoride
PubChem CID18516661
Molecular FormulaC12H25FO2S
Molecular Weight252.39 g/mol
Exact Mass252.16
IUPAC Namedodecane-1-sulfonyl fluoride
SMILESCCCCCCCCCCCCS(=O)(=O)F
InChIInChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
InChIKeyUVLRFDMRDPQRSM-UHFFFAOYSA-N
XLogP4.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 54.21
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 dodecane-1-sulfonyl fluoride?
The IUPAC name of dodecane-1-sulfonyl fluoride (CID 18516661) is dodecane-1-sulfonyl fluoride.
What is the SMILES notation for dodecane-1-sulfonyl fluoride?
The canonical SMILES for dodecane-1-sulfonyl fluoride is CCCCCCCCCCCCS(=O)(=O)F.
What is the InChIKey of dodecane-1-sulfonyl fluoride?
The InChIKey is UVLRFDMRDPQRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3.
What are the key properties of dodecane-1-sulfonyl fluoride?
dodecane-1-sulfonyl fluoride has a molecular weight of 252.39 g/mol, XLogP of 4.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1-sulfonyl fluoride is sourced from PubChem (CID 18516661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).