4-fluoro-2-methoxybenzonitrile

C8H6FNO — CID 2783329

IUPAC4-fluoro-2-methoxybenzonitrile
SMILESCOc1cc(F)ccc1C#N
InChIInChI=1S/C8H6FNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChIKeyHGBKZVIQHCUHRI-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.71
Rot. Bonds1

About 4-fluoro-2-methoxybenzonitrile

4-fluoro-2-methoxybenzonitrile (PubChem CID 2783329) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 4-fluoro-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-fluoro-2-methoxybenzonitrile
PubChem CID2783329
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name4-fluoro-2-methoxybenzonitrile
SMILESCOc1cc(F)ccc1C#N
InChIInChI=1S/C8H6FNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChIKeyHGBKZVIQHCUHRI-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 4-fluoro-2-methoxybenzonitrile?
The IUPAC name of 4-fluoro-2-methoxybenzonitrile (CID 2783329) is 4-fluoro-2-methoxybenzonitrile.
What is the SMILES notation for 4-fluoro-2-methoxybenzonitrile?
The canonical SMILES for 4-fluoro-2-methoxybenzonitrile is COc1cc(F)ccc1C#N.
What is the InChIKey of 4-fluoro-2-methoxybenzonitrile?
The InChIKey is HGBKZVIQHCUHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3.
What are the key properties of 4-fluoro-2-methoxybenzonitrile?
4-fluoro-2-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 4-fluoro-2-methoxybenzonitrile is sourced from PubChem (CID 2783329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).