2,2,2-trifluoroethyl undec-10-enoate

C13H21F3O2 — CID 11482501

IUPAC2,2,2-trifluoroethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(F)(F)F
InChIInChI=1S/C13H21F3O2/c1-2-3-4-5-6-7-8-9-10-12(17)18-11-13(14,15)16/h2H,1,3-11H2
InChIKeyHBWLCFDIZHOOCG-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.40
Rot. Bonds10

About 2,2,2-trifluoroethyl undec-10-enoate

2,2,2-trifluoroethyl undec-10-enoate (PubChem CID 11482501) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl undec-10-enoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl undec-10-enoate
PubChem CID11482501
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name2,2,2-trifluoroethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(F)(F)F
InChIInChI=1S/C13H21F3O2/c1-2-3-4-5-6-7-8-9-10-12(17)18-11-13(14,15)16/h2H,1,3-11H2
InChIKeyHBWLCFDIZHOOCG-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.40
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 2,2,2-trifluoroethyl undec-10-enoate?
The IUPAC name of 2,2,2-trifluoroethyl undec-10-enoate (CID 11482501) is 2,2,2-trifluoroethyl undec-10-enoate.
What is the SMILES notation for 2,2,2-trifluoroethyl undec-10-enoate?
The canonical SMILES for 2,2,2-trifluoroethyl undec-10-enoate is C=CCCCCCCCCC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl undec-10-enoate?
The InChIKey is HBWLCFDIZHOOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c1-2-3-4-5-6-7-8-9-10-12(17)18-11-13(14,15)16/h2H,1,3-11H2.
What are the key properties of 2,2,2-trifluoroethyl undec-10-enoate?
2,2,2-trifluoroethyl undec-10-enoate has a molecular weight of 266.30 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl undec-10-enoate is sourced from PubChem (CID 11482501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).