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

C11H17F3O — CID 15651909

IUPAC[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCO/C(=C\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyXUECCYHQDCVMAA-NTMALXAHSA-N
MW222.25 g/mol
LogP4.05
Rot. Bonds3

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

[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 15651909) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID15651909
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
SMILESCCO/C(=C\C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-2-15-10(11(12,13)14)8-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3/b10-8-
InChIKeyXUECCYHQDCVMAA-NTMALXAHSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 15651909) is [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane is CCO/C(=C\C1CCCCC1)C(F)(F)F.
What is the InChIKey of [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is XUECCYHQDCVMAA-NTMALXAHSA-N. The full InChI is InChI=1S/C11H17F3O/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 [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane has a molecular weight of 222.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 15651909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).