1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone

C10H6ClFO2 — CID 65428211

IUPAC1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C10H6ClFO2/c1-5(13)9-3-6-2-7(12)4-8(11)10(6)14-9/h2-4H,1H3
InChIKeyKAUADPVAEFBNRZ-UHFFFAOYSA-N
MW212.61 g/mol
LogP3.43
Rot. Bonds1

About 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone

1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone (PubChem CID 65428211) has the molecular formula C10H6ClFO2 and a molecular weight of 212.61 g/mol. Its IUPAC name is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone
PubChem CID65428211
Molecular FormulaC10H6ClFO2
Molecular Weight212.61 g/mol
Exact Mass212.00
IUPAC Name1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1cc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C10H6ClFO2/c1-5(13)9-3-6-2-7(12)4-8(11)10(6)14-9/h2-4H,1H3
InChIKeyKAUADPVAEFBNRZ-UHFFFAOYSA-N
XLogP3.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone (CID 65428211) is 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone is CC(=O)c1cc2cc(F)cc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is KAUADPVAEFBNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFO2/c1-5(13)9-3-6-2-7(12)4-8(11)10(6)14-9/h2-4H,1H3.
What are the key properties of 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone?
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone has a molecular weight of 212.61 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-5-fluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 65428211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).