1-(4-fluorobutylsulfonyl)nonane

C13H27FO2S — CID 57210591

IUPAC1-(4-fluorobutylsulfonyl)nonane
SMILESCCCCCCCCCS(=O)(=O)CCCCF
InChIInChI=1S/C13H27FO2S/c1-2-3-4-5-6-7-9-12-17(15,16)13-10-8-11-14/h2-13H2,1H3
InChIKeyDABOCHQKZGARPQ-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.90
Rot. Bonds12

About 1-(4-fluorobutylsulfonyl)nonane

1-(4-fluorobutylsulfonyl)nonane (PubChem CID 57210591) has the molecular formula C13H27FO2S and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-(4-fluorobutylsulfonyl)nonane.

Molecular Properties

Compound Name1-(4-fluorobutylsulfonyl)nonane
PubChem CID57210591
Molecular FormulaC13H27FO2S
Molecular Weight266.42 g/mol
Exact Mass266.17
IUPAC Name1-(4-fluorobutylsulfonyl)nonane
SMILESCCCCCCCCCS(=O)(=O)CCCCF
InChIInChI=1S/C13H27FO2S/c1-2-3-4-5-6-7-9-12-17(15,16)13-10-8-11-14/h2-13H2,1H3
InChIKeyDABOCHQKZGARPQ-UHFFFAOYSA-N
XLogP3.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.90
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 1-(4-fluorobutylsulfonyl)nonane?
The IUPAC name of 1-(4-fluorobutylsulfonyl)nonane (CID 57210591) is 1-(4-fluorobutylsulfonyl)nonane.
What is the SMILES notation for 1-(4-fluorobutylsulfonyl)nonane?
The canonical SMILES for 1-(4-fluorobutylsulfonyl)nonane is CCCCCCCCCS(=O)(=O)CCCCF.
What is the InChIKey of 1-(4-fluorobutylsulfonyl)nonane?
The InChIKey is DABOCHQKZGARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO2S/c1-2-3-4-5-6-7-9-12-17(15,16)13-10-8-11-14/h2-13H2,1H3.
What are the key properties of 1-(4-fluorobutylsulfonyl)nonane?
1-(4-fluorobutylsulfonyl)nonane has a molecular weight of 266.42 g/mol, XLogP of 3.90, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutylsulfonyl)nonane is sourced from PubChem (CID 57210591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).