[(Z)-14,14,14-trifluorotetradec-11-enyl] acetate

C16H27F3O2 — CID 5363310

IUPAC[(Z)-14,14,14-trifluorotetradec-11-enyl] acetate
SMILESCC(=O)OCCCCCCCCCC/C=C\CC(F)(F)F
InChIInChI=1S/C16H27F3O2/c1-15(20)21-14-12-10-8-6-4-2-3-5-7-9-11-13-16(17,18)19/h9,11H,2-8,10,12-14H2,1H3/b11-9-
InChIKeyQVAHKGHMXZIUOO-LUAWRHEFSA-N
MW308.38 g/mol
LogP5.57
Rot. Bonds12

About [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate

[(Z)-14,14,14-trifluorotetradec-11-enyl] acetate (PubChem CID 5363310) has the molecular formula C16H27F3O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate.

Molecular Properties

Compound Name[(Z)-14,14,14-trifluorotetradec-11-enyl] acetate
PubChem CID5363310
Molecular FormulaC16H27F3O2
Molecular Weight308.38 g/mol
Exact Mass308.20
IUPAC Name[(Z)-14,14,14-trifluorotetradec-11-enyl] acetate
SMILESCC(=O)OCCCCCCCCCC/C=C\CC(F)(F)F
InChIInChI=1S/C16H27F3O2/c1-15(20)21-14-12-10-8-6-4-2-3-5-7-9-11-13-16(17,18)19/h9,11H,2-8,10,12-14H2,1H3/b11-9-
InChIKeyQVAHKGHMXZIUOO-LUAWRHEFSA-N
XLogP5.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate?
The IUPAC name of [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate (CID 5363310) is [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate.
What is the SMILES notation for [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate?
The canonical SMILES for [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate is CC(=O)OCCCCCCCCCC/C=C\CC(F)(F)F.
What is the InChIKey of [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate?
The InChIKey is QVAHKGHMXZIUOO-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H27F3O2/c1-15(20)21-14-12-10-8-6-4-2-3-5-7-9-11-13-16(17,18)19/h9,11H,2-8,10,12-14H2,1H3/b11-9-.
What are the key properties of [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate?
[(Z)-14,14,14-trifluorotetradec-11-enyl] acetate has a molecular weight of 308.38 g/mol, XLogP of 5.57, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-14,14,14-trifluorotetradec-11-enyl] acetate is sourced from PubChem (CID 5363310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).