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

C11H17F3O — CID 121222363

IUPAC[(E)-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-CSKARUKUSA-N
MW222.25 g/mol
LogP4.05
Rot. Bonds3

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

[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane (PubChem CID 121222363) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
PubChem CID121222363
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name[(E)-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-CSKARUKUSA-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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Related Compounds

(Z)-1-Cyclohexyl-1-ethoxy-2,3,3,3-tetrafluoro-1-propene
CID 11791301
[(Z)-3-ethoxy-4,4,4-trifluorobut-2-enyl]cyclohexane
CID 15651906
[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]cyclohexane
CID 15651911
[(Z)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15398557
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15651909
1-[4-(2,2-Difluoroethenyl)cyclohexylidene]-4-(methoxymethylidene)cyclohexane
CID 69975622
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
2,3-Dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
CID 91235536
2-(1-Fluoroethoxy)-7,8-dimethylnon-2-ene
CID 123166155
1-Hexoxy-6-(trifluoromethyl)cyclohexene
CID 123526153
(2-Ethoxy-3,3,3-trifluoroprop-1-enyl)cyclohexane
CID 131881692
[(E)-2-[(E)-prop-1-enoxy]prop-1-enyl]cyclohexane
CID 141629069

Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The IUPAC name of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane (CID 121222363) is [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The canonical SMILES for [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane is CCO/C(=C/C1CCCCC1)C(F)(F)F.
What is the InChIKey of [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
The InChIKey is XUECCYHQDCVMAA-CSKARUKUSA-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 [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane?
[(E)-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 [(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane is sourced from PubChem (CID 121222363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).