5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile

C10H10FNO2 — CID 117284977

IUPAC5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile
SMILESCOCc1cc(OC)c(F)cc1C#N
InChIInChI=1S/C10H10FNO2/c1-13-6-8-4-10(14-2)9(11)3-7(8)5-12/h3-4H,6H2,1-2H3
InChIKeyRCAXYMNIYVYJBY-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.85
Rot. Bonds3

About 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile

5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile (PubChem CID 117284977) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile
PubChem CID117284977
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile
SMILESCOCc1cc(OC)c(F)cc1C#N
InChIInChI=1S/C10H10FNO2/c1-13-6-8-4-10(14-2)9(11)3-7(8)5-12/h3-4H,6H2,1-2H3
InChIKeyRCAXYMNIYVYJBY-UHFFFAOYSA-N
XLogP1.85
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile
CID 117284978
5-amino-4-fluoro-2-(methoxymethyl)benzonitrile
CID 125426880
4-(cyanomethyl)-5-fluoro-2-methoxybenzonitrile
CID 171031195
[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117421223
5-fluoro-2,4-dimethoxybenzoic acid;5-fluoro-2,4-dimethoxybenzonitrile
CID 159510028
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-fluoro-4-(methoxymethyl)benzonitrile
CID 117276304
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117433339
2-[1-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117424192
ethyl 2-(2-cyano-4-ethyl-5-methoxyphenyl)acetate
CID 134615010
methyl 2-[5-(aminomethyl)-2-cyano-4-methoxyphenyl]acetate
CID 134640501
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile?
The IUPAC name of 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile (CID 117284977) is 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile?
The canonical SMILES for 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile is COCc1cc(OC)c(F)cc1C#N.
What is the InChIKey of 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile?
The InChIKey is RCAXYMNIYVYJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-13-6-8-4-10(14-2)9(11)3-7(8)5-12/h3-4H,6H2,1-2H3.
What are the key properties of 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile?
5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile has a molecular weight of 195.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile is sourced from PubChem (CID 117284977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).