cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate

C11H15F3O3 — CID 78885651

IUPACcyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate
SMILESO=C(COCC(F)(F)F)OCC1CC=CCC1
InChIInChI=1S/C11H15F3O3/c12-11(13,14)8-16-7-10(15)17-6-9-4-2-1-3-5-9/h1-2,9H,3-8H2
InChIKeyDLCSRRFHMMUTTF-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.46
Rot. Bonds5

About cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate

cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate (PubChem CID 78885651) has the molecular formula C11H15F3O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate
PubChem CID78885651
Molecular FormulaC11H15F3O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Namecyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate
SMILESO=C(COCC(F)(F)F)OCC1CC=CCC1
InChIInChI=1S/C11H15F3O3/c12-11(13,14)8-16-7-10(15)17-6-9-4-2-1-3-5-9/h1-2,9H,3-8H2
InChIKeyDLCSRRFHMMUTTF-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate?
The IUPAC name of cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate (CID 78885651) is cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate.
What is the SMILES notation for cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate?
The canonical SMILES for cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate is O=C(COCC(F)(F)F)OCC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate?
The InChIKey is DLCSRRFHMMUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O3/c12-11(13,14)8-16-7-10(15)17-6-9-4-2-1-3-5-9/h1-2,9H,3-8H2.
What are the key properties of cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate?
cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate has a molecular weight of 252.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethyl 2-(2,2,2-trifluoroethoxy)acetate is sourced from PubChem (CID 78885651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).