2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene

C8H13F3S — CID 46909682

IUPAC2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene
SMILESC=C(CCCC)SCC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-3-4-5-7(2)12-6-8(9,10)11/h2-6H2,1H3
InChIKeyUNBKHZRZADVPQZ-UHFFFAOYSA-N
MW198.25 g/mol
LogP3.99
Rot. Bonds5

About 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene

2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene (PubChem CID 46909682) has the molecular formula C8H13F3S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene
PubChem CID46909682
Molecular FormulaC8H13F3S
Molecular Weight198.25 g/mol
Exact Mass198.07
IUPAC Name2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene
SMILESC=C(CCCC)SCC(F)(F)F
InChIInChI=1S/C8H13F3S/c1-3-4-5-7(2)12-6-8(9,10)11/h2-6H2,1H3
InChIKeyUNBKHZRZADVPQZ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene (CID 46909682) is 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene is C=C(CCCC)SCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene?
The InChIKey is UNBKHZRZADVPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3S/c1-3-4-5-7(2)12-6-8(9,10)11/h2-6H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene?
2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene has a molecular weight of 198.25 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfanyl)hex-1-ene is sourced from PubChem (CID 46909682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).