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

C7H11F3O2S — CID 24976494

IUPAC(E)-1-(trifluoromethylsulfonyl)hex-2-ene
SMILESCCC/C=C/CS(=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/b5-4+
InChIKeyAJFLUGNOXLWDKN-SNAWJCMRSA-N
MW216.22 g/mol
LogP2.28
Rot. Bonds4

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

(E)-1-(trifluoromethylsulfonyl)hex-2-ene (PubChem CID 24976494) has the molecular formula C7H11F3O2S and a molecular weight of 216.22 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfonyl)hex-2-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfonyl)hex-2-ene
PubChem CID24976494
Molecular FormulaC7H11F3O2S
Molecular Weight216.22 g/mol
Exact Mass216.04
IUPAC Name(E)-1-(trifluoromethylsulfonyl)hex-2-ene
SMILESCCC/C=C/CS(=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/b5-4+
InChIKeyAJFLUGNOXLWDKN-SNAWJCMRSA-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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Related Compounds

[(5Z)-1-methyl-3,4,7,8-tetrahydro-2H-thiocin-1-yl] trifluoromethanesulfonate
CID 12577149
(5Z)-1-methyl-3,4,7,8-tetrahydro-2H-thiocin-1-ium;trifluoromethanesulfonate
CID 176443703
2-Hexenyl methyl sulfone
CID 129668047
1-Methanesulfonyl-2,2-difluoro-3-butene
CID 19860699
1-Ethylsulfonyl-4,4,5,5,5-pentafluoropent-1-ene
CID 57286604
6-(Trifluoromethylsulfonyl)hex-1-ene
CID 87201483
(3E)-4-(difluoromethylsulfonyl)hexa-1,3-diene
CID 88559458
(E)-2-(trifluoromethylsulfonyl)hept-2-ene
CID 88929975
2,5-Difluoro-1-methylsulfonylcyclohexa-1,3-diene
CID 89073524
(3R,4Z)-3-(trifluoromethylsulfonyl)hepta-1,4-diene
CID 89381375
(3S)-3-(trifluoromethylsulfonyl)but-1-ene
CID 89775496
(Z)-4-(trifluoromethylsulfonyl)pent-2-ene
CID 121366816

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfonyl)hex-2-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfonyl)hex-2-ene (CID 24976494) is (E)-1-(trifluoromethylsulfonyl)hex-2-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfonyl)hex-2-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfonyl)hex-2-ene is CCC/C=C/CS(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfonyl)hex-2-ene?
The InChIKey is AJFLUGNOXLWDKN-SNAWJCMRSA-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/b5-4+.
What are the key properties of (E)-1-(trifluoromethylsulfonyl)hex-2-ene?
(E)-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 (E)-1-(trifluoromethylsulfonyl)hex-2-ene is sourced from PubChem (CID 24976494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).