5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one

C10H5F5O2 — CID 162363712

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C10H5F5O2/c11-9(12,10(13,14)15)6-1-2-7-5(3-6)4-17-8(7)16/h1-3H,4H2
InChIKeyBUFPVKQZQXIENP-UHFFFAOYSA-N
MW252.14 g/mol
LogP3.01
Rot. Bonds1

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

5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one (PubChem CID 162363712) has the molecular formula C10H5F5O2 and a molecular weight of 252.14 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one
PubChem CID162363712
Molecular FormulaC10H5F5O2
Molecular Weight252.14 g/mol
Exact Mass252.02
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C10H5F5O2/c11-9(12,10(13,14)15)6-1-2-7-5(3-6)4-17-8(7)16/h1-3H,4H2
InChIKeyBUFPVKQZQXIENP-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one (CID 162363712) is 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one is O=C1OCc2cc(C(F)(F)C(F)(F)F)ccc21.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one?
The InChIKey is BUFPVKQZQXIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5O2/c11-9(12,10(13,14)15)6-1-2-7-5(3-6)4-17-8(7)16/h1-3H,4H2.
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one?
5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one has a molecular weight of 252.14 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 162363712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).