(E)-1-(trifluoromethylsulfonyl)prop-1-ene

C4H5F3O2S — CID 13166274

IUPAC(E)-1-(trifluoromethylsulfonyl)prop-1-ene
SMILESC/C=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2S/c1-2-3-10(8,9)4(5,6)7/h2-3H,1H3/b3-2+
InChIKeyHDIRCSFLBQCZLC-NSCUHMNNSA-N
MW174.14 g/mol
LogP1.45
Rot. Bonds1

About (E)-1-(trifluoromethylsulfonyl)prop-1-ene

(E)-1-(trifluoromethylsulfonyl)prop-1-ene (PubChem CID 13166274) has the molecular formula C4H5F3O2S and a molecular weight of 174.14 g/mol. Its IUPAC name is (E)-1-(trifluoromethylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name(E)-1-(trifluoromethylsulfonyl)prop-1-ene
PubChem CID13166274
Molecular FormulaC4H5F3O2S
Molecular Weight174.14 g/mol
Exact Mass174.00
IUPAC Name(E)-1-(trifluoromethylsulfonyl)prop-1-ene
SMILESC/C=C/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H5F3O2S/c1-2-3-10(8,9)4(5,6)7/h2-3H,1H3/b3-2+
InChIKeyHDIRCSFLBQCZLC-NSCUHMNNSA-N
XLogP1.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,2,2,3,3,4,4-Nonafluoro-4-(prop-1-ene-1-sulfonyl)butane
CID 71369456
1,1,1,3,3,3-Hexafluoro-2-prop-2-enylsulfonylpropane
CID 13542549
3-(2,2,2-Trifluoroethylsulfonyl)prop-1-ene
CID 13542554
1-(Trifluoromethylsulfonyl)buta-1,2-diene
CID 102376143
3,3,3-Trifluoro-1-methanesulfonylpropene
CID 162368554
3-(Trifluoromethanesulfonyl)prop-1-ene
CID 12598646
Thiophen-1-ium;trifluoromethanesulfonate
CID 18615966
1-(Trifluoromethylsulfonyl)buta-1,3-diene
CID 53679438
1-(Trifluoromethylsulfonyl)hexa-1,3,5-triene
CID 54188908
1-(Trifluoromethanesulfonyl)prop-1-ene
CID 71392116
1-(Trifluoromethylsulfonyl)but-2-ene
CID 85984478
3,3,3-Trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfonyl)prop-1-ene
CID 87320290

Frequently Asked Questions

What is the IUPAC name of (E)-1-(trifluoromethylsulfonyl)prop-1-ene?
The IUPAC name of (E)-1-(trifluoromethylsulfonyl)prop-1-ene (CID 13166274) is (E)-1-(trifluoromethylsulfonyl)prop-1-ene.
What is the SMILES notation for (E)-1-(trifluoromethylsulfonyl)prop-1-ene?
The canonical SMILES for (E)-1-(trifluoromethylsulfonyl)prop-1-ene is C/C=C/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (E)-1-(trifluoromethylsulfonyl)prop-1-ene?
The InChIKey is HDIRCSFLBQCZLC-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H5F3O2S/c1-2-3-10(8,9)4(5,6)7/h2-3H,1H3/b3-2+.
What are the key properties of (E)-1-(trifluoromethylsulfonyl)prop-1-ene?
(E)-1-(trifluoromethylsulfonyl)prop-1-ene has a molecular weight of 174.14 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(trifluoromethylsulfonyl)prop-1-ene is sourced from PubChem (CID 13166274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).