5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one

C10H8ClFO2 — CID 82716826

IUPAC5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one
SMILESCCC1Oc2cc(F)c(Cl)cc2C1=O
InChIInChI=1S/C10H8ClFO2/c1-2-8-10(13)5-3-6(11)7(12)4-9(5)14-8/h3-4,8H,2H2,1H3
InChIKeyHBPYQOTWLCZEAM-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.83
Rot. Bonds1

About 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one

5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one (PubChem CID 82716826) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one
PubChem CID82716826
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one
SMILESCCC1Oc2cc(F)c(Cl)cc2C1=O
InChIInChI=1S/C10H8ClFO2/c1-2-8-10(13)5-3-6(11)7(12)4-9(5)14-8/h3-4,8H,2H2,1H3
InChIKeyHBPYQOTWLCZEAM-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-ethyl-6,7-difluoro-1-benzofuran-3-one
CID 130961065
5-chloro-2-propyl-1-benzofuran-3-one
CID 83049384
6-chloro-2-ethyl-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82719741
7-bromo-5-chloro-2-ethyl-1-benzofuran-3-one
CID 64661205
6-fluoro-2-propyl-1-benzofuran-3-one
CID 83050185
(4R)-8-chloro-4-ethyl-7-fluoro-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 169261933
5-chloro-N-ethyl-6-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 82716125
2-propyl-6-(trifluoromethyl)-1-benzofuran-3-one
CID 172506984
(2S)-2-[(2,6-dichlorophenyl)methyl]-5-methoxy-1-benzofuran-3-one
CID 129382473
6-chloro-7-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720878
5-chloro-2-propylbenzo[g][1]benzofuran-3-one
CID 83049105
2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 7080943

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one?
The IUPAC name of 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one (CID 82716826) is 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one.
What is the SMILES notation for 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one?
The canonical SMILES for 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one is CCC1Oc2cc(F)c(Cl)cc2C1=O.
What is the InChIKey of 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one?
The InChIKey is HBPYQOTWLCZEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO2/c1-2-8-10(13)5-3-6(11)7(12)4-9(5)14-8/h3-4,8H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one?
5-chloro-2-ethyl-6-fluoro-1-benzofuran-3-one has a molecular weight of 214.62 g/mol, XLogP of 2.83, 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-fluoro-1-benzofuran-3-one is sourced from PubChem (CID 82716826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).