[(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene

C11H11F3S — CID 11009817

IUPAC[(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCCS/C(=C\c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3S/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyQQNWHVDHBXIWAY-NTMALXAHSA-N
MW232.27 g/mol
LogP4.34
Rot. Bonds3

About [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene

[(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 11009817) has the molecular formula C11H11F3S and a molecular weight of 232.27 g/mol. Its IUPAC name is [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID11009817
Molecular FormulaC11H11F3S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name[(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene
SMILESCCS/C(=C\c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3S/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-
InChIKeyQQNWHVDHBXIWAY-NTMALXAHSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene (CID 11009817) is [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene is CCS/C(=C\c1ccccc1)C(F)(F)F.
What is the InChIKey of [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is QQNWHVDHBXIWAY-NTMALXAHSA-N. The full InChI is InChI=1S/C11H11F3S/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8-.
What are the key properties of [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene?
[(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 232.27 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 11009817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).