5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one

C11H7F3O2 — CID 170167645

IUPAC5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C=CC(F)(F)F)ccc21
InChIInChI=1S/C11H7F3O2/c12-11(13,14)4-3-7-1-2-9-8(5-7)6-16-10(9)15/h1-5H,6H2
InChIKeyFNTYBTUOQLCIGN-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.93
Rot. Bonds1

About 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one

5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one (PubChem CID 170167645) has the molecular formula C11H7F3O2 and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one
PubChem CID170167645
Molecular FormulaC11H7F3O2
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C=CC(F)(F)F)ccc21
InChIInChI=1S/C11H7F3O2/c12-11(13,14)4-3-7-1-2-9-8(5-7)6-16-10(9)15/h1-5H,6H2
InChIKeyFNTYBTUOQLCIGN-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one (CID 170167645) is 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one is O=C1OCc2cc(C=CC(F)(F)F)ccc21.
What is the InChIKey of 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one?
The InChIKey is FNTYBTUOQLCIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O2/c12-11(13,14)4-3-7-1-2-9-8(5-7)6-16-10(9)15/h1-5H,6H2.
What are the key properties of 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one?
5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one has a molecular weight of 228.17 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoroprop-1-enyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 170167645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).