1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene

C11H15F3O — CID 10680429

IUPAC1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene
SMILESCCO/C=C(\C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-2-15-8-10(11(12,13)14)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8+
InChIKeyJRBIBNHMYOKKLM-CSKARUKUSA-N
MW220.23 g/mol
LogP3.97
Rot. Bonds3

About 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene

1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene (PubChem CID 10680429) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene.

Molecular Properties

Compound Name1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene
PubChem CID10680429
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene
SMILESCCO/C=C(\C1=CCCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-2-15-8-10(11(12,13)14)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8+
InChIKeyJRBIBNHMYOKKLM-CSKARUKUSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.97
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 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene?
The IUPAC name of 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene (CID 10680429) is 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene.
What is the SMILES notation for 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene?
The canonical SMILES for 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene is CCO/C=C(\C1=CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene?
The InChIKey is JRBIBNHMYOKKLM-CSKARUKUSA-N. The full InChI is InChI=1S/C11H15F3O/c1-2-15-8-10(11(12,13)14)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8+.
What are the key properties of 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene?
1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene has a molecular weight of 220.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-ethoxy-3,3,3-trifluoroprop-1-en-2-yl]cyclohexene is sourced from PubChem (CID 10680429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).