[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene

C11H11F3S2 — CID 10683046

IUPAC[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
SMILESCCS/C(=C/Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3S2/c1-2-15-10(11(12,13)14)8-16-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyMFRWYSATMVQKCZ-CSKARUKUSA-N
MW264.34 g/mol
LogP4.94
Rot. Bonds4

About [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene

[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene (PubChem CID 10683046) has the molecular formula C11H11F3S2 and a molecular weight of 264.34 g/mol. Its IUPAC name is [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
PubChem CID10683046
Molecular FormulaC11H11F3S2
Molecular Weight264.34 g/mol
Exact Mass264.03
IUPAC Name[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
SMILESCCS/C(=C/Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3S2/c1-2-15-10(11(12,13)14)8-16-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKeyMFRWYSATMVQKCZ-CSKARUKUSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene (CID 10683046) is [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene is CCS/C(=C/Sc1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The InChIKey is MFRWYSATMVQKCZ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H11F3S2/c1-2-15-10(11(12,13)14)8-16-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+.
What are the key properties of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene has a molecular weight of 264.34 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 10683046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).