1,2,2-trifluoroethyl 4-ethenylbenzoate

C11H9F3O2 — CID 69022165

IUPAC1,2,2-trifluoroethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC(F)C(F)F)cc1
InChIInChI=1S/C11H9F3O2/c1-2-7-3-5-8(6-4-7)11(15)16-10(14)9(12)13/h2-6,9-10H,1H2
InChIKeyUIGRDIMWVCWJOP-UHFFFAOYSA-N
MW230.19 g/mol
LogP3.05
Rot. Bonds4

About 1,2,2-trifluoroethyl 4-ethenylbenzoate

1,2,2-trifluoroethyl 4-ethenylbenzoate (PubChem CID 69022165) has the molecular formula C11H9F3O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is 1,2,2-trifluoroethyl 4-ethenylbenzoate.

Molecular Properties

Compound Name1,2,2-trifluoroethyl 4-ethenylbenzoate
PubChem CID69022165
Molecular FormulaC11H9F3O2
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name1,2,2-trifluoroethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC(F)C(F)F)cc1
InChIInChI=1S/C11H9F3O2/c1-2-7-3-5-8(6-4-7)11(15)16-10(14)9(12)13/h2-6,9-10H,1H2
InChIKeyUIGRDIMWVCWJOP-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethyl 4-ethenylbenzoate?
The IUPAC name of 1,2,2-trifluoroethyl 4-ethenylbenzoate (CID 69022165) is 1,2,2-trifluoroethyl 4-ethenylbenzoate.
What is the SMILES notation for 1,2,2-trifluoroethyl 4-ethenylbenzoate?
The canonical SMILES for 1,2,2-trifluoroethyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OC(F)C(F)F)cc1.
What is the InChIKey of 1,2,2-trifluoroethyl 4-ethenylbenzoate?
The InChIKey is UIGRDIMWVCWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O2/c1-2-7-3-5-8(6-4-7)11(15)16-10(14)9(12)13/h2-6,9-10H,1H2.
What are the key properties of 1,2,2-trifluoroethyl 4-ethenylbenzoate?
1,2,2-trifluoroethyl 4-ethenylbenzoate has a molecular weight of 230.19 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethyl 4-ethenylbenzoate is sourced from PubChem (CID 69022165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).