5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one

C10H7ClF2O2 — CID 130961065

IUPAC5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one
SMILESCCC1Oc2c(cc(Cl)c(F)c2F)C1=O
InChIInChI=1S/C10H7ClF2O2/c1-2-6-9(14)4-3-5(11)7(12)8(13)10(4)15-6/h3,6H,2H2,1H3
InChIKeyFOCKYCJVOCWQMT-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.97
Rot. Bonds1

About 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one

5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one (PubChem CID 130961065) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one
PubChem CID130961065
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one
SMILESCCC1Oc2c(cc(Cl)c(F)c2F)C1=O
InChIInChI=1S/C10H7ClF2O2/c1-2-6-9(14)4-3-5(11)7(12)8(13)10(4)15-6/h3,6H,2H2,1H3
InChIKeyFOCKYCJVOCWQMT-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one?
The IUPAC name of 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one (CID 130961065) is 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one.
What is the SMILES notation for 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one?
The canonical SMILES for 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one is CCC1Oc2c(cc(Cl)c(F)c2F)C1=O.
What is the InChIKey of 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one?
The InChIKey is FOCKYCJVOCWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c1-2-6-9(14)4-3-5(11)7(12)8(13)10(4)15-6/h3,6H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one?
5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one has a molecular weight of 232.61 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one is sourced from PubChem (CID 130961065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).