(E)-1-(trifluoromethylsulfonyl)non-2-ene

C10H17F3O2S — CID 11021552

IUPAC(E)-1-(trifluoromethylsulfonyl)non-2-ene
SMILESCCCCCC/C=C/CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O2S/c1-2-3-4-5-6-7-8-9-16(14,15)10(11,12)13/h7-8H,2-6,9H2,1H3/b8-7+
InChIKeyGGLZYAAYDXHJBM-BQYQJAHWSA-N
MW258.30 g/mol
LogP3.45
Rot. Bonds7

About (E)-1-(trifluoromethylsulfonyl)non-2-ene

(E)-1-(trifluoromethylsulfonyl)non-2-ene (PubChem CID 11021552) has the molecular formula C10H17F3O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfonyl)non-2-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfonyl)non-2-ene
PubChem CID11021552
Molecular FormulaC10H17F3O2S
Molecular Weight258.30 g/mol
Exact Mass258.09
IUPAC Name(E)-1-(trifluoromethylsulfonyl)non-2-ene
SMILESCCCCCC/C=C/CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O2S/c1-2-3-4-5-6-7-8-9-16(14,15)10(11,12)13/h7-8H,2-6,9H2,1H3/b8-7+
InChIKeyGGLZYAAYDXHJBM-BQYQJAHWSA-N
XLogP3.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-(trifluoromethylsulfonyl)non-2-ene with MolForge

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

Launch Full Analysis

Related Compounds

Methyloct-1-ene-6-sulfonyl fluoride
CID 129773352
(Z)-3-iodo-1-(trifluoromethylsulfonyl)non-2-ene
CID 134992823
5-Methylsulfonylcyclooctene
CID 67958396
(E,E)-(3,7,11-Trimethyl-2,6,10-dodecatrienyl) (trifluoromethyl)sulfone
CID 10914716
[(2E)-3,7-dimethylocta-2,6-dienyl]-dimethylsulfanium;trifluoromethanesulfonate
CID 18786792
5-(1,1-Difluorobut-3-enylsulfonyl)nona-1,8-diene
CID 21357092
3,7,11-Trimethyl-1-(trifluoromethylsulfonyl)dodeca-2,6,10-triene
CID 54484816
7-(Trifluoromethylsulfonyl)oct-1-ene
CID 87831649
[(2Z)-3,7-dimethylocta-2,6-dienyl]-dimethylsulfanium;trifluoromethanesulfonate
CID 88244301
(E)-2-(trifluoromethylsulfonyl)hept-2-ene
CID 88929975
(3R,4Z)-3-(trifluoromethylsulfonyl)hepta-1,4-diene
CID 89381375
12,12,12-Trifluoro-11-(trifluoromethylsulfonyl)dodec-1-ene
CID 118400684

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfonyl)non-2-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfonyl)non-2-ene (CID 11021552) is (E)-1-(trifluoromethylsulfonyl)non-2-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfonyl)non-2-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfonyl)non-2-ene is CCCCCC/C=C/CS(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfonyl)non-2-ene?
The InChIKey is GGLZYAAYDXHJBM-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H17F3O2S/c1-2-3-4-5-6-7-8-9-16(14,15)10(11,12)13/h7-8H,2-6,9H2,1H3/b8-7+.
What are the key properties of (E)-1-(trifluoromethylsulfonyl)non-2-ene?
(E)-1-(trifluoromethylsulfonyl)non-2-ene has a molecular weight of 258.30 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(trifluoromethylsulfonyl)non-2-ene is sourced from PubChem (CID 11021552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).