5,5,5-trifluoro-2-methylsulfanylpent-1-ene

C6H9F3S — CID 134364413

IUPAC5,5,5-trifluoro-2-methylsulfanylpent-1-ene
SMILESC=C(CCC(F)(F)F)SC
InChIInChI=1S/C6H9F3S/c1-5(10-2)3-4-6(7,8)9/h1,3-4H2,2H3
InChIKeyWDEVCVQCXAFTKZ-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.21
Rot. Bonds3

About 5,5,5-trifluoro-2-methylsulfanylpent-1-ene

5,5,5-trifluoro-2-methylsulfanylpent-1-ene (PubChem CID 134364413) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methylsulfanylpent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methylsulfanylpent-1-ene
PubChem CID134364413
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name5,5,5-trifluoro-2-methylsulfanylpent-1-ene
SMILESC=C(CCC(F)(F)F)SC
InChIInChI=1S/C6H9F3S/c1-5(10-2)3-4-6(7,8)9/h1,3-4H2,2H3
InChIKeyWDEVCVQCXAFTKZ-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methylsulfanylpent-1-ene?
The IUPAC name of 5,5,5-trifluoro-2-methylsulfanylpent-1-ene (CID 134364413) is 5,5,5-trifluoro-2-methylsulfanylpent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-2-methylsulfanylpent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-2-methylsulfanylpent-1-ene is C=C(CCC(F)(F)F)SC.
What is the InChIKey of 5,5,5-trifluoro-2-methylsulfanylpent-1-ene?
The InChIKey is WDEVCVQCXAFTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c1-5(10-2)3-4-6(7,8)9/h1,3-4H2,2H3.
What are the key properties of 5,5,5-trifluoro-2-methylsulfanylpent-1-ene?
5,5,5-trifluoro-2-methylsulfanylpent-1-ene has a molecular weight of 170.20 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methylsulfanylpent-1-ene is sourced from PubChem (CID 134364413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).