3-(ethoxymethyl)-2-fluorobenzonitrile

C10H10FNO — CID 107115085

IUPAC3-(ethoxymethyl)-2-fluorobenzonitrile
SMILESCCOCc1cccc(C#N)c1F
InChIInChI=1S/C10H10FNO/c1-2-13-7-9-5-3-4-8(6-12)10(9)11/h3-5H,2,7H2,1H3
InChIKeyOGQSAOVBYBHFBS-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.23
Rot. Bonds3

About 3-(ethoxymethyl)-2-fluorobenzonitrile

3-(ethoxymethyl)-2-fluorobenzonitrile (PubChem CID 107115085) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(ethoxymethyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(ethoxymethyl)-2-fluorobenzonitrile
PubChem CID107115085
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(ethoxymethyl)-2-fluorobenzonitrile
SMILESCCOCc1cccc(C#N)c1F
InChIInChI=1S/C10H10FNO/c1-2-13-7-9-5-3-4-8(6-12)10(9)11/h3-5H,2,7H2,1H3
InChIKeyOGQSAOVBYBHFBS-UHFFFAOYSA-N
XLogP2.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(ethylamino)ethoxymethyl]-2-fluorobenzonitrile
CID 107118720
2-fluoro-3-(2-trimethylsilylethoxymethyl)benzonitrile
CID 151134961
2-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]benzonitrile
CID 107115263
3-[(4-bromophenyl)methoxymethyl]-2-fluorobenzonitrile
CID 107115238
2-fluoro-3-(pentan-2-yloxymethyl)benzonitrile
CID 107115256
ethyl 2-(3-cyano-2-fluorophenyl)acetate
CID 134652102
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107114269
3-(2-cyclobutylethoxymethyl)-2-fluorobenzonitrile
CID 106201634
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107115182
2-fluoro-3-(2-thiophen-2-ylethoxymethyl)benzonitrile
CID 107115192
2-fluoro-3-[(3-methoxyphenoxy)methyl]benzonitrile
CID 107115097
3-[(3,4-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 107115102

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-2-fluorobenzonitrile?
The IUPAC name of 3-(ethoxymethyl)-2-fluorobenzonitrile (CID 107115085) is 3-(ethoxymethyl)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(ethoxymethyl)-2-fluorobenzonitrile?
The canonical SMILES for 3-(ethoxymethyl)-2-fluorobenzonitrile is CCOCc1cccc(C#N)c1F.
What is the InChIKey of 3-(ethoxymethyl)-2-fluorobenzonitrile?
The InChIKey is OGQSAOVBYBHFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-13-7-9-5-3-4-8(6-12)10(9)11/h3-5H,2,7H2,1H3.
What are the key properties of 3-(ethoxymethyl)-2-fluorobenzonitrile?
3-(ethoxymethyl)-2-fluorobenzonitrile has a molecular weight of 179.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-2-fluorobenzonitrile is sourced from PubChem (CID 107115085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).