3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one

C11H7F3O2 — CID 162538872

IUPAC3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
SMILESCC=C1OC(=O)c2c1cccc2C(F)(F)F
InChIInChI=1S/C11H7F3O2/c1-2-8-6-4-3-5-7(11(12,13)14)9(6)10(15)16-8/h2-5H,1H3
InChIKeyNYCKBJMZCNSZGA-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.24
Rot. Bonds

About 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one

3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one (PubChem CID 162538872) has the molecular formula C11H7F3O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
PubChem CID162538872
Molecular FormulaC11H7F3O2
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
SMILESCC=C1OC(=O)c2c1cccc2C(F)(F)F
InChIInChI=1S/C11H7F3O2/c1-2-8-6-4-3-5-7(11(12,13)14)9(6)10(15)16-8/h2-5H,1H3
InChIKeyNYCKBJMZCNSZGA-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one?
The IUPAC name of 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one (CID 162538872) is 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one.
What is the SMILES notation for 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one?
The canonical SMILES for 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one is CC=C1OC(=O)c2c1cccc2C(F)(F)F.
What is the InChIKey of 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one?
The InChIKey is NYCKBJMZCNSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2/c1-2-8-6-4-3-5-7(11(12,13)14)9(6)10(15)16-8/h2-5H,1H3.
What are the key properties of 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one?
3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one has a molecular weight of 228.17 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one is sourced from PubChem (CID 162538872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).