7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile

C11H7ClFNO — CID 62379941

IUPAC7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile
SMILESCCc1c(C#N)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C11H7ClFNO/c1-2-7-8-3-6(13)4-9(12)11(8)15-10(7)5-14/h3-4H,2H2,1H3
InChIKeyRFALJWGYWXXNCI-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.66
Rot. Bonds1

About 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile

7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile (PubChem CID 62379941) has the molecular formula C11H7ClFNO and a molecular weight of 223.63 g/mol. Its IUPAC name is 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile
PubChem CID62379941
Molecular FormulaC11H7ClFNO
Molecular Weight223.63 g/mol
Exact Mass223.02
IUPAC Name7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile
SMILESCCc1c(C#N)oc2c(Cl)cc(F)cc12
InChIInChI=1S/C11H7ClFNO/c1-2-7-8-3-6(13)4-9(12)11(8)15-10(7)5-14/h3-4H,2H2,1H3
InChIKeyRFALJWGYWXXNCI-UHFFFAOYSA-N
XLogP3.66
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile?
The IUPAC name of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile (CID 62379941) is 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile?
The canonical SMILES for 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile is CCc1c(C#N)oc2c(Cl)cc(F)cc12.
What is the InChIKey of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile?
The InChIKey is RFALJWGYWXXNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO/c1-2-7-8-3-6(13)4-9(12)11(8)15-10(7)5-14/h3-4H,2H2,1H3.
What are the key properties of 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile?
7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile has a molecular weight of 223.63 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-5-fluoro-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 62379941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).