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

C11H17F3O2S — CID 11021951

IUPAC[(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCS(=O)(=O)/C(=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2S/c1-2-17(15,16)10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+
InChIKeyKFVRNFJUERVIHU-CSKARUKUSA-N
MW270.32 g/mol
LogP3.45
Rot. Bonds3

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

[(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 11021951) has the molecular formula C11H17F3O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID11021951
Molecular FormulaC11H17F3O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name[(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCS(=O)(=O)/C(=C/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O2S/c1-2-17(15,16)10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8+
InChIKeyKFVRNFJUERVIHU-CSKARUKUSA-N
XLogP3.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 11021951) is [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane is CCS(=O)(=O)/C(=C/C1CCCCC1)C(F)(F)F.
What is the InChIKey of [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is KFVRNFJUERVIHU-CSKARUKUSA-N. The full InChI is InChI=1S/C11H17F3O2S/c1-2-17(15,16)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-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane has a molecular weight of 270.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 11021951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).