2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene

C5H5F3S — CID 123843684

IUPAC2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene
SMILESC=CSC(=C)C(F)(F)F
InChIInChI=1S/C5H5F3S/c1-3-9-4(2)5(6,7)8/h3H,1-2H2
InChIKeyFWNMSYQHNKZDCL-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.94
Rot. Bonds2

About 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene

2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene (PubChem CID 123843684) has the molecular formula C5H5F3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene
PubChem CID123843684
Molecular FormulaC5H5F3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene
SMILESC=CSC(=C)C(F)(F)F
InChIInChI=1S/C5H5F3S/c1-3-9-4(2)5(6,7)8/h3H,1-2H2
InChIKeyFWNMSYQHNKZDCL-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene (CID 123843684) is 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene is C=CSC(=C)C(F)(F)F.
What is the InChIKey of 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene?
The InChIKey is FWNMSYQHNKZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3S/c1-3-9-4(2)5(6,7)8/h3H,1-2H2.
What are the key properties of 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene?
2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene has a molecular weight of 154.16 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 123843684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).