1,2,2-trifluoroethyl undec-10-enoate

C13H21F3O2 — CID 87373587

IUPAC1,2,2-trifluoroethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(F)C(F)F
InChIInChI=1S/C13H21F3O2/c1-2-3-4-5-6-7-8-9-10-11(17)18-13(16)12(14)15/h2,12-13H,1,3-10H2
InChIKeyQEKCLQMUHZHGJQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.40
Rot. Bonds11

About 1,2,2-trifluoroethyl undec-10-enoate

1,2,2-trifluoroethyl undec-10-enoate (PubChem CID 87373587) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,2,2-trifluoroethyl undec-10-enoate.

Molecular Properties

Compound Name1,2,2-trifluoroethyl undec-10-enoate
PubChem CID87373587
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1,2,2-trifluoroethyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(F)C(F)F
InChIInChI=1S/C13H21F3O2/c1-2-3-4-5-6-7-8-9-10-11(17)18-13(16)12(14)15/h2,12-13H,1,3-10H2
InChIKeyQEKCLQMUHZHGJQ-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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 1,2,2-trifluoroethyl undec-10-enoate?
The IUPAC name of 1,2,2-trifluoroethyl undec-10-enoate (CID 87373587) is 1,2,2-trifluoroethyl undec-10-enoate.
What is the SMILES notation for 1,2,2-trifluoroethyl undec-10-enoate?
The canonical SMILES for 1,2,2-trifluoroethyl undec-10-enoate is C=CCCCCCCCCC(=O)OC(F)C(F)F.
What is the InChIKey of 1,2,2-trifluoroethyl undec-10-enoate?
The InChIKey is QEKCLQMUHZHGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c1-2-3-4-5-6-7-8-9-10-11(17)18-13(16)12(14)15/h2,12-13H,1,3-10H2.
What are the key properties of 1,2,2-trifluoroethyl undec-10-enoate?
1,2,2-trifluoroethyl undec-10-enoate has a molecular weight of 266.30 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethyl undec-10-enoate is sourced from PubChem (CID 87373587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).