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

C11H17F3OS — CID 15259638

IUPAC[(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCS(=O)/C(=C\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3OS/c1-2-16(15)10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyMMPFOKOGMWZWFQ-NTMALXAHSA-N
MW254.32 g/mol
LogP3.78
Rot. Bonds3

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

[(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 15259638) has the molecular formula C11H17F3OS and a molecular weight of 254.32 g/mol. Its IUPAC name is [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID15259638
Molecular FormulaC11H17F3OS
Molecular Weight254.32 g/mol
Exact Mass254.10
IUPAC Name[(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCS(=O)/C(=C\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3OS/c1-2-16(15)10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyMMPFOKOGMWZWFQ-NTMALXAHSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 15259638) is [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane is CCS(=O)/C(=C\C1CCCCC1)C(F)(F)F.
What is the InChIKey of [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is MMPFOKOGMWZWFQ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H17F3OS/c1-2-16(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 [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane has a molecular weight of 254.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylsulfinyl-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 15259638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).