[(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate

C14H23F3O2 — CID 19418268

IUPAC[(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate
SMILESCCCC/C=C(\OC(C)=O)C(CCCC)C(F)(F)F
InChIInChI=1S/C14H23F3O2/c1-4-6-8-10-13(19-11(3)18)12(9-7-5-2)14(15,16)17/h10,12H,4-9H2,1-3H3/b13-10-
InChIKeyIYCFRMXCDCZIBV-RAXLEYEMSA-N
MW280.33 g/mol
LogP4.99
Rot. Bonds8

About [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate

[(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate (PubChem CID 19418268) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate.

Molecular Properties

Compound Name[(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate
PubChem CID19418268
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name[(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate
SMILESCCCC/C=C(\OC(C)=O)C(CCCC)C(F)(F)F
InChIInChI=1S/C14H23F3O2/c1-4-6-8-10-13(19-11(3)18)12(9-7-5-2)14(15,16)17/h10,12H,4-9H2,1-3H3/b13-10-
InChIKeyIYCFRMXCDCZIBV-RAXLEYEMSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate?
The IUPAC name of [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate (CID 19418268) is [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate.
What is the SMILES notation for [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate?
The canonical SMILES for [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate is CCCC/C=C(\OC(C)=O)C(CCCC)C(F)(F)F.
What is the InChIKey of [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate?
The InChIKey is IYCFRMXCDCZIBV-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H23F3O2/c1-4-6-8-10-13(19-11(3)18)12(9-7-5-2)14(15,16)17/h10,12H,4-9H2,1-3H3/b13-10-.
What are the key properties of [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate?
[(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate has a molecular weight of 280.33 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7-(trifluoromethyl)undec-5-en-6-yl] acetate is sourced from PubChem (CID 19418268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).