5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile

C11H12FNO2 — CID 67585577

IUPAC5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
SMILESCOCCOc1cc(C)c(F)cc1C#N
InChIInChI=1S/C11H12FNO2/c1-8-5-11(15-4-3-14-2)9(7-13)6-10(8)12/h5-6H,3-4H2,1-2H3
InChIKeyAMEONKYIZIXAEM-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.03
Rot. Bonds4

About 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile

5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile (PubChem CID 67585577) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
PubChem CID67585577
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
SMILESCOCCOc1cc(C)c(F)cc1C#N
InChIInChI=1S/C11H12FNO2/c1-8-5-11(15-4-3-14-2)9(7-13)6-10(8)12/h5-6H,3-4H2,1-2H3
InChIKeyAMEONKYIZIXAEM-UHFFFAOYSA-N
XLogP2.03
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
CID 20785388
2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
CID 167407689
4-fluoro-5-methylbenzene-1,2-dicarbonitrile
CID 146962290
1-fluoro-5-(2-methoxyethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 154985854
1-[5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanone
CID 113427003
2-bromo-3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzonitrile
CID 107534437
4-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzonitrile
CID 104561582
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177563
methyl 3-cyano-4-(2-methoxyethoxy)benzoate
CID 163228135
[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid
CID 118038729
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-4-(4-methoxybutoxy)benzonitrile
CID 115777010

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile?
The IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile (CID 67585577) is 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile?
The canonical SMILES for 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile is COCCOc1cc(C)c(F)cc1C#N.
What is the InChIKey of 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile?
The InChIKey is AMEONKYIZIXAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-8-5-11(15-4-3-14-2)9(7-13)6-10(8)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile?
5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile has a molecular weight of 209.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile is sourced from PubChem (CID 67585577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).