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

C11H17F3O2S — CID 15259641

IUPAC[(Z)-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-NTMALXAHSA-N
MW270.32 g/mol
LogP3.45
Rot. Bonds3

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

[(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 15259641) has the molecular formula C11H17F3O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID15259641
Molecular FormulaC11H17F3O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name[(Z)-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-NTMALXAHSA-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 [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 15259641) is [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(Z)-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 [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is KFVRNFJUERVIHU-NTMALXAHSA-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 [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(Z)-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 [(Z)-2-ethylsulfonyl-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 15259641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).