1-(trifluoromethylsulfonyl)hex-2-ene

C7H11F3O2S — CID 71392120

IUPAC1-(trifluoromethylsulfonyl)hex-2-ene
SMILESCCCC=CCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F3O2S/c1-2-3-4-5-6-13(11,12)7(8,9)10/h4-5H,2-3,6H2,1H3
InChIKeyAJFLUGNOXLWDKN-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.28
Rot. Bonds4

About 1-(trifluoromethylsulfonyl)hex-2-ene

1-(trifluoromethylsulfonyl)hex-2-ene (PubChem CID 71392120) has the molecular formula C7H11F3O2S and a molecular weight of 216.22 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)hex-2-ene.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)hex-2-ene
PubChem CID71392120
Molecular FormulaC7H11F3O2S
Molecular Weight216.22 g/mol
Exact Mass216.04
IUPAC Name1-(trifluoromethylsulfonyl)hex-2-ene
SMILESCCCC=CCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F3O2S/c1-2-3-4-5-6-13(11,12)7(8,9)10/h4-5H,2-3,6H2,1H3
InChIKeyAJFLUGNOXLWDKN-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)hex-2-ene?
The IUPAC name of 1-(trifluoromethylsulfonyl)hex-2-ene (CID 71392120) is 1-(trifluoromethylsulfonyl)hex-2-ene.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)hex-2-ene?
The canonical SMILES for 1-(trifluoromethylsulfonyl)hex-2-ene is CCCC=CCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)hex-2-ene?
The InChIKey is AJFLUGNOXLWDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2S/c1-2-3-4-5-6-13(11,12)7(8,9)10/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(trifluoromethylsulfonyl)hex-2-ene?
1-(trifluoromethylsulfonyl)hex-2-ene has a molecular weight of 216.22 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)hex-2-ene is sourced from PubChem (CID 71392120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).