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

C10H5ClFNO — CID 71417952

IUPAC7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile
SMILESCc1oc2c(Cl)cc(F)cc2c1C#N
InChIInChI=1S/C10H5ClFNO/c1-5-8(4-13)7-2-6(12)3-9(11)10(7)14-5/h2-3H,1H3
InChIKeyXUGIEIRRGAQBET-UHFFFAOYSA-N
MW209.61 g/mol
LogP3.41
Rot. Bonds

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

7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile (PubChem CID 71417952) has the molecular formula C10H5ClFNO and a molecular weight of 209.61 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile
PubChem CID71417952
Molecular FormulaC10H5ClFNO
Molecular Weight209.61 g/mol
Exact Mass209.00
IUPAC Name7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile
SMILESCc1oc2c(Cl)cc(F)cc2c1C#N
InChIInChI=1S/C10H5ClFNO/c1-5-8(4-13)7-2-6(12)3-9(11)10(7)14-5/h2-3H,1H3
InChIKeyXUGIEIRRGAQBET-UHFFFAOYSA-N
XLogP3.41
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.61
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile?
The IUPAC name of 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile (CID 71417952) is 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile?
The canonical SMILES for 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile is Cc1oc2c(Cl)cc(F)cc2c1C#N.
What is the InChIKey of 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile?
The InChIKey is XUGIEIRRGAQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO/c1-5-8(4-13)7-2-6(12)3-9(11)10(7)14-5/h2-3H,1H3.
What are the key properties of 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile?
7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile has a molecular weight of 209.61 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2-methyl-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 71417952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).