(E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene

C6H6F6O2S — CID 126536307

IUPAC(E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene
SMILESO=S(=O)(CC(F)(F)CF)/C(F)=C(/F)CF
InChIInChI=1S/C6H6F6O2S/c7-1-4(9)5(10)15(13,14)3-6(11,12)2-8/h1-3H2/b5-4+
InChIKeyAZAIQWVIRMBSKZ-SNAWJCMRSA-N
MW256.17 g/mol
LogP2.08
Rot. Bonds5

About (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene

(E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene (PubChem CID 126536307) has the molecular formula C6H6F6O2S and a molecular weight of 256.17 g/mol. Its IUPAC name is (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name(E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene
PubChem CID126536307
Molecular FormulaC6H6F6O2S
Molecular Weight256.17 g/mol
Exact Mass256.00
IUPAC Name(E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene
SMILESO=S(=O)(CC(F)(F)CF)/C(F)=C(/F)CF
InChIInChI=1S/C6H6F6O2S/c7-1-4(9)5(10)15(13,14)3-6(11,12)2-8/h1-3H2/b5-4+
InChIKeyAZAIQWVIRMBSKZ-SNAWJCMRSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2,3-tetrafluoroprop-1-ene
CID 11855995
1,4,4,7,7,8-hexafluorooctane-2-sulfonic acid
CID 123148805
1,2-difluoropropane;trifluoromethanesulfonyl chloride
CID 87990471
ethane-1,1-diol;fluoromethanesulfonic acid
CID 87128075
azane;trifluoromethanesulfonyl chloride
CID 87630754
1,2,2-trifluoro-4-methylhexane
CID 145450268
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
magnesium;potassium;trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane;trichloride
CID 86749078
lithium 1,1,2-trifluoroethanesulfonate
CID 23700454
1-(trifluoromethylsulfonyl)ethanol
CID 126732557
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
CID 159931303
CID 159931303

Frequently Asked Questions

What is the IUPAC name of (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene?
The IUPAC name of (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene (CID 126536307) is (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene.
What is the SMILES notation for (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene?
The canonical SMILES for (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene is O=S(=O)(CC(F)(F)CF)/C(F)=C(/F)CF.
What is the InChIKey of (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene?
The InChIKey is AZAIQWVIRMBSKZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H6F6O2S/c7-1-4(9)5(10)15(13,14)3-6(11,12)2-8/h1-3H2/b5-4+.
What are the key properties of (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene?
(E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene has a molecular weight of 256.17 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,3-trifluoro-1-(2,2,3-trifluoropropylsulfonyl)prop-1-ene is sourced from PubChem (CID 126536307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).