(E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene

C4H2F6O2S — CID 102142685

IUPAC(E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene
SMILESO=S(=O)(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O2S/c5-3(6,7)1-2-13(11,12)4(8,9)10/h1-2H/b2-1+
InChIKeyNWYZFLSHQVCFLT-OWOJBTEDSA-N
MW228.11 g/mol
LogP2.00
Rot. Bonds1

About (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene

(E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene (PubChem CID 102142685) has the molecular formula C4H2F6O2S and a molecular weight of 228.11 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene
PubChem CID102142685
Molecular FormulaC4H2F6O2S
Molecular Weight228.11 g/mol
Exact Mass227.97
IUPAC Name(E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene
SMILESO=S(=O)(/C=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O2S/c5-3(6,7)1-2-13(11,12)4(8,9)10/h1-2H/b2-1+
InChIKeyNWYZFLSHQVCFLT-OWOJBTEDSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene?
The IUPAC name of (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene (CID 102142685) is (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene.
What is the SMILES notation for (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene?
The canonical SMILES for (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene is O=S(=O)(/C=C/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene?
The InChIKey is NWYZFLSHQVCFLT-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H2F6O2S/c5-3(6,7)1-2-13(11,12)4(8,9)10/h1-2H/b2-1+.
What are the key properties of (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene?
(E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene has a molecular weight of 228.11 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-1-(trifluoromethylsulfonyl)prop-1-ene is sourced from PubChem (CID 102142685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).