2-fluoro-4-methoxybenzonitrile

C8H6FNO — CID 639878

IUPAC2-fluoro-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(F)c1
InChIInChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
InChIKeyHWKUZTFIZATJPM-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.71
Rot. Bonds1

About 2-fluoro-4-methoxybenzonitrile

2-fluoro-4-methoxybenzonitrile (PubChem CID 639878) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-fluoro-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-4-methoxybenzonitrile
PubChem CID639878
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name2-fluoro-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(F)c1
InChIInChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
InChIKeyHWKUZTFIZATJPM-UHFFFAOYSA-N
XLogP1.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxybenzonitrile?
The IUPAC name of 2-fluoro-4-methoxybenzonitrile (CID 639878) is 2-fluoro-4-methoxybenzonitrile.
What is the SMILES notation for 2-fluoro-4-methoxybenzonitrile?
The canonical SMILES for 2-fluoro-4-methoxybenzonitrile is COc1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxybenzonitrile?
The InChIKey is HWKUZTFIZATJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3.
What are the key properties of 2-fluoro-4-methoxybenzonitrile?
2-fluoro-4-methoxybenzonitrile has a molecular weight of 151.14 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxybenzonitrile is sourced from PubChem (CID 639878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).