[(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate

C16H27F3O2 — CID 5364636

IUPAC[(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate
SMILESCC/C=C\CCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C16H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h3-4H,2,5-14H2,1H3/b4-3-
InChIKeyZYIOEZHQUSNGKJ-ARJAWSKDSA-N
MW308.38 g/mol
LogP5.57
Rot. Bonds12

About [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate

[(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate (PubChem CID 5364636) has the molecular formula C16H27F3O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate
PubChem CID5364636
Molecular FormulaC16H27F3O2
Molecular Weight308.38 g/mol
Exact Mass308.20
IUPAC Name[(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate
SMILESCC/C=C\CCCCCCCCCCOC(=O)C(F)(F)F
InChIInChI=1S/C16H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h3-4H,2,5-14H2,1H3/b4-3-
InChIKeyZYIOEZHQUSNGKJ-ARJAWSKDSA-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)-tetradec-11-enyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate (CID 5364636) is [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate is CC/C=C\CCCCCCCCCCOC(=O)C(F)(F)F.
What is the InChIKey of [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate?
The InChIKey is ZYIOEZHQUSNGKJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C16H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15(20)16(17,18)19/h3-4H,2,5-14H2,1H3/b4-3-.
What are the key properties of [(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate?
[(Z)-tetradec-11-enyl] 2,2,2-trifluoroacetate 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)-tetradec-11-enyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 5364636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).