3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene

C6H4F6S — CID 91009324

IUPAC3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene
SMILESFC(F)(F)C=CSC=CC(F)(F)F
InChIInChI=1S/C6H4F6S/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H
InChIKeyNCWGGLGJAIMOJQ-UHFFFAOYSA-N
MW222.15 g/mol
LogP3.87
Rot. Bonds2

About 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene

3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene (PubChem CID 91009324) has the molecular formula C6H4F6S and a molecular weight of 222.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene
PubChem CID91009324
Molecular FormulaC6H4F6S
Molecular Weight222.15 g/mol
Exact Mass221.99
IUPAC Name3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene
SMILESFC(F)(F)C=CSC=CC(F)(F)F
InChIInChI=1S/C6H4F6S/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H
InChIKeyNCWGGLGJAIMOJQ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.15
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene?
The IUPAC name of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene (CID 91009324) is 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene is FC(F)(F)C=CSC=CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene?
The InChIKey is NCWGGLGJAIMOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6S/c7-5(8,9)1-3-13-4-2-6(10,11)12/h1-4H.
What are the key properties of 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene?
3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene has a molecular weight of 222.15 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3,3,3-trifluoroprop-1-enylsulfanyl)prop-1-ene is sourced from PubChem (CID 91009324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).