3-iodo-1-(trifluoromethylsulfonyl)nonane

C10H18F3IO2S — CID 11132820

IUPAC3-iodo-1-(trifluoromethylsulfonyl)nonane
SMILESCCCCCCC(I)CCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3IO2S/c1-2-3-4-5-6-9(14)7-8-17(15,16)10(11,12)13/h9H,2-8H2,1H3
InChIKeyRFWZJMXLNHXWIR-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.09
Rot. Bonds8

About 3-iodo-1-(trifluoromethylsulfonyl)nonane

3-iodo-1-(trifluoromethylsulfonyl)nonane (PubChem CID 11132820) has the molecular formula C10H18F3IO2S and a molecular weight of 386.22 g/mol. Its IUPAC name is 3-iodo-1-(trifluoromethylsulfonyl)nonane.

Molecular Properties

Compound Name3-iodo-1-(trifluoromethylsulfonyl)nonane
PubChem CID11132820
Molecular FormulaC10H18F3IO2S
Molecular Weight386.22 g/mol
Exact Mass386.00
IUPAC Name3-iodo-1-(trifluoromethylsulfonyl)nonane
SMILESCCCCCCC(I)CCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3IO2S/c1-2-3-4-5-6-9(14)7-8-17(15,16)10(11,12)13/h9H,2-8H2,1H3
InChIKeyRFWZJMXLNHXWIR-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(trifluoromethylsulfonyl)nonane?
The IUPAC name of 3-iodo-1-(trifluoromethylsulfonyl)nonane (CID 11132820) is 3-iodo-1-(trifluoromethylsulfonyl)nonane.
What is the SMILES notation for 3-iodo-1-(trifluoromethylsulfonyl)nonane?
The canonical SMILES for 3-iodo-1-(trifluoromethylsulfonyl)nonane is CCCCCCC(I)CCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-iodo-1-(trifluoromethylsulfonyl)nonane?
The InChIKey is RFWZJMXLNHXWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3IO2S/c1-2-3-4-5-6-9(14)7-8-17(15,16)10(11,12)13/h9H,2-8H2,1H3.
What are the key properties of 3-iodo-1-(trifluoromethylsulfonyl)nonane?
3-iodo-1-(trifluoromethylsulfonyl)nonane has a molecular weight of 386.22 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(trifluoromethylsulfonyl)nonane is sourced from PubChem (CID 11132820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).