1-ethylsulfanyl-1,2,2-trifluoroethene

C4H5F3S — CID 87155924

IUPAC1-ethylsulfanyl-1,2,2-trifluoroethene
SMILESCCSC(F)=C(F)F
InChIInChI=1S/C4H5F3S/c1-2-8-4(7)3(5)6/h2H2,1H3
InChIKeyPOGGCOLDCYEYSE-UHFFFAOYSA-N
MW142.15 g/mol
LogP2.77
Rot. Bonds2

About 1-ethylsulfanyl-1,2,2-trifluoroethene

1-ethylsulfanyl-1,2,2-trifluoroethene (PubChem CID 87155924) has the molecular formula C4H5F3S and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-ethylsulfanyl-1,2,2-trifluoroethene.

Molecular Properties

Compound Name1-ethylsulfanyl-1,2,2-trifluoroethene
PubChem CID87155924
Molecular FormulaC4H5F3S
Molecular Weight142.15 g/mol
Exact Mass142.01
IUPAC Name1-ethylsulfanyl-1,2,2-trifluoroethene
SMILESCCSC(F)=C(F)F
InChIInChI=1S/C4H5F3S/c1-2-8-4(7)3(5)6/h2H2,1H3
InChIKeyPOGGCOLDCYEYSE-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trifluoromethyl ethyl sulfide
CID 582485
1,1,1-Trifluoro-2-(methylsulfanyl)ethane
CID 13360361
2-(Ethylthio)-1,1,1-trifluoroethane
CID 6432510
1,1-Bis(ethylsulfanyl)-2,2-difluoroethene
CID 13508445
Trifluoromethyl isopropyl sulfide
CID 588919
1-Fluoro-2-(trifluoromethylsulfanyl)propane
CID 13708908
Difluoromethylethyl sulfide
CID 10855415
1-Ethylsulfanyl-1,1,2,2,2-pentafluoroethane
CID 11506555
1,1,1,3,3,3-Hexafluoro-2-methylsulfanylpropane
CID 15655246
1,1,2-Trifluoro-3-methylsulfanylprop-1-ene
CID 21300324
1-Ethylsulfanyl-1,1,2,2-tetrafluoroethane
CID 21801328
1-Ethylsulfanyl-1,1,2-trifluoroethane
CID 23236109

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1,2,2-trifluoroethene?
The IUPAC name of 1-ethylsulfanyl-1,2,2-trifluoroethene (CID 87155924) is 1-ethylsulfanyl-1,2,2-trifluoroethene.
What is the SMILES notation for 1-ethylsulfanyl-1,2,2-trifluoroethene?
The canonical SMILES for 1-ethylsulfanyl-1,2,2-trifluoroethene is CCSC(F)=C(F)F.
What is the InChIKey of 1-ethylsulfanyl-1,2,2-trifluoroethene?
The InChIKey is POGGCOLDCYEYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3S/c1-2-8-4(7)3(5)6/h2H2,1H3.
What are the key properties of 1-ethylsulfanyl-1,2,2-trifluoroethene?
1-ethylsulfanyl-1,2,2-trifluoroethene has a molecular weight of 142.15 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1,2,2-trifluoroethene is sourced from PubChem (CID 87155924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).