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

C11H17F3S — CID 11042792

IUPAC[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCS/C(=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3S/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+
InChIKeyBEGIJOBYLSLHOZ-CSKARUKUSA-N
MW238.32 g/mol
LogP4.77
Rot. Bonds3

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

[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 11042792) has the molecular formula C11H17F3S and a molecular weight of 238.32 g/mol. Its IUPAC name is [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID11042792
Molecular FormulaC11H17F3S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCS/C(=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3S/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+
InChIKeyBEGIJOBYLSLHOZ-CSKARUKUSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 11042792) is [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane is CCS/C(=C/C1CCCCC1)C(F)(F)F.
What is the InChIKey of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is BEGIJOBYLSLHOZ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H17F3S/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+.
What are the key properties of [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane has a molecular weight of 238.32 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethylsulfanyl-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 11042792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).