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

C10H10FNO2 — CID 117284978

IUPAC2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile
SMILESCOCc1cc(C#N)c(F)cc1OC
InChIInChI=1S/C10H10FNO2/c1-13-6-8-3-7(5-12)9(11)4-10(8)14-2/h3-4H,6H2,1-2H3
InChIKeyRAEGRMSFAREXHJ-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.85
Rot. Bonds3

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

2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile (PubChem CID 117284978) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile
PubChem CID117284978
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile
SMILESCOCc1cc(C#N)c(F)cc1OC
InChIInChI=1S/C10H10FNO2/c1-13-6-8-3-7(5-12)9(11)4-10(8)14-2/h3-4H,6H2,1-2H3
InChIKeyRAEGRMSFAREXHJ-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

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Related Compounds

5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile
CID 117284977
5-amino-4-fluoro-2-(methoxymethyl)benzonitrile
CID 125426880
5-cyano-4-fluoro-2-methoxybenzoyl chloride
CID 171021975
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
2-fluoro-4-(methoxymethyl)benzonitrile
CID 117276304
N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117306502
2,4-difluoro-5-(methoxymethoxy)benzonitrile
CID 142496952
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117330301
4-(cyanomethyl)-5-fluoro-2-methoxybenzonitrile
CID 171031195
4-[(5-chloro-2-methoxyphenyl)methoxy]-2-fluorobenzonitrile
CID 78952742
4-cyano-5-fluoro-2-methoxybenzoic acid
CID 131092344
methoxymethyl 5-cyano-4-fluoro-2-(methoxymethoxy)benzoate
CID 19701630

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile?
The IUPAC name of 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile (CID 117284978) is 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile is COCc1cc(C#N)c(F)cc1OC.
What is the InChIKey of 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile?
The InChIKey is RAEGRMSFAREXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-13-6-8-3-7(5-12)9(11)4-10(8)14-2/h3-4H,6H2,1-2H3.
What are the key properties of 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile?
2-fluoro-4-methoxy-5-(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 2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile is sourced from PubChem (CID 117284978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).