4-fluoro-3-methoxybenzonitrile

C8H6FNO — CID 2737365

IUPAC4-fluoro-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1F
InChIInChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChIKeyFOWHAPVFVBXMBK-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.71
Rot. Bonds1

About 4-fluoro-3-methoxybenzonitrile

4-fluoro-3-methoxybenzonitrile (PubChem CID 2737365) has the molecular formula C8H6FNO and a molecular weight of 151.14 g/mol. Its IUPAC name is 4-fluoro-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-fluoro-3-methoxybenzonitrile
PubChem CID2737365
Molecular FormulaC8H6FNO
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name4-fluoro-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1F
InChIInChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChIKeyFOWHAPVFVBXMBK-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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Related Compounds

3-Methoxytoluene
CID 7530
Tyrphostin A1
CID 2063
4-Methoxybenzonitrile
CID 70129
Benzeneacetonitrile, 4-methoxy-
CID 66031
3,4-Dimethoxybenzeneacetonitrile
CID 66727
(2-Methoxybenzylidene)malononitrile
CID 17813
1-(Cyanomethyl)-3,5-dimethoxybenzene
CID 29482
cis,trans-4-Methoxycinnamonitrile
CID 1549677
3-Methoxybenzonitrile
CID 73712
(3-Methoxyphenyl)acetonitrile
CID 88310
3-(Trifluoromethyl)anisole
CID 96691
3-Cyanophenyl acetate
CID 294521

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxybenzonitrile?
The IUPAC name of 4-fluoro-3-methoxybenzonitrile (CID 2737365) is 4-fluoro-3-methoxybenzonitrile.
What is the SMILES notation for 4-fluoro-3-methoxybenzonitrile?
The canonical SMILES for 4-fluoro-3-methoxybenzonitrile is COc1cc(C#N)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxybenzonitrile?
The InChIKey is FOWHAPVFVBXMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3.
What are the key properties of 4-fluoro-3-methoxybenzonitrile?
4-fluoro-3-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-3-methoxybenzonitrile is sourced from PubChem (CID 2737365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).