5-fluoro-3-propyl-1-benzofuran-2-carbonitrile

C12H10FNO — CID 62380864

IUPAC5-fluoro-3-propyl-1-benzofuran-2-carbonitrile
SMILESCCCc1c(C#N)oc2ccc(F)cc12
InChIInChI=1S/C12H10FNO/c1-2-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14/h4-6H,2-3H2,1H3
InChIKeyVOEYBZLHXSXUOZ-UHFFFAOYSA-N
MW203.22 g/mol
LogP3.40
Rot. Bonds2

About 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile

5-fluoro-3-propyl-1-benzofuran-2-carbonitrile (PubChem CID 62380864) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile.

Molecular Properties

Compound Name5-fluoro-3-propyl-1-benzofuran-2-carbonitrile
PubChem CID62380864
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name5-fluoro-3-propyl-1-benzofuran-2-carbonitrile
SMILESCCCc1c(C#N)oc2ccc(F)cc12
InChIInChI=1S/C12H10FNO/c1-2-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14/h4-6H,2-3H2,1H3
InChIKeyVOEYBZLHXSXUOZ-UHFFFAOYSA-N
XLogP3.40
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile?
The IUPAC name of 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile (CID 62380864) is 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile.
What is the SMILES notation for 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile?
The canonical SMILES for 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile is CCCc1c(C#N)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile?
The InChIKey is VOEYBZLHXSXUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-2-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14/h4-6H,2-3H2,1H3.
What are the key properties of 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile?
5-fluoro-3-propyl-1-benzofuran-2-carbonitrile has a molecular weight of 203.22 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propyl-1-benzofuran-2-carbonitrile is sourced from PubChem (CID 62380864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).