1-(fluoromethylsulfonyl)nonane

C10H21FO2S — CID 10013880

IUPAC1-(fluoromethylsulfonyl)nonane
SMILESCCCCCCCCCS(=O)(=O)CF
InChIInChI=1S/C10H21FO2S/c1-2-3-4-5-6-7-8-9-14(12,13)10-11/h2-10H2,1H3
InChIKeyRBEKVSXDLXYAIU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.08
Rot. Bonds9

About 1-(fluoromethylsulfonyl)nonane

1-(fluoromethylsulfonyl)nonane (PubChem CID 10013880) has the molecular formula C10H21FO2S and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(fluoromethylsulfonyl)nonane.

Molecular Properties

Compound Name1-(fluoromethylsulfonyl)nonane
PubChem CID10013880
Molecular FormulaC10H21FO2S
Molecular Weight224.34 g/mol
Exact Mass224.12
IUPAC Name1-(fluoromethylsulfonyl)nonane
SMILESCCCCCCCCCS(=O)(=O)CF
InChIInChI=1S/C10H21FO2S/c1-2-3-4-5-6-7-8-9-14(12,13)10-11/h2-10H2,1H3
InChIKeyRBEKVSXDLXYAIU-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(fluoromethylsulfonyl)nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonyl)nonane?
The IUPAC name of 1-(fluoromethylsulfonyl)nonane (CID 10013880) is 1-(fluoromethylsulfonyl)nonane.
What is the SMILES notation for 1-(fluoromethylsulfonyl)nonane?
The canonical SMILES for 1-(fluoromethylsulfonyl)nonane is CCCCCCCCCS(=O)(=O)CF.
What is the InChIKey of 1-(fluoromethylsulfonyl)nonane?
The InChIKey is RBEKVSXDLXYAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO2S/c1-2-3-4-5-6-7-8-9-14(12,13)10-11/h2-10H2,1H3.
What are the key properties of 1-(fluoromethylsulfonyl)nonane?
1-(fluoromethylsulfonyl)nonane has a molecular weight of 224.34 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfonyl)nonane is sourced from PubChem (CID 10013880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).