2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile

C13H17FN2O — CID 79512645

IUPAC2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile
SMILESCCN(CC)CCOc1cccc(F)c1C#N
InChIInChI=1S/C13H17FN2O/c1-3-16(4-2)8-9-17-13-7-5-6-12(14)11(13)10-15/h5-7H,3-4,8-9H2,1-2H3
InChIKeyHSRDETZNCJCHGJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.42
Rot. Bonds6

About 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile

2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile (PubChem CID 79512645) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile
PubChem CID79512645
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile
SMILESCCN(CC)CCOc1cccc(F)c1C#N
InChIInChI=1S/C13H17FN2O/c1-3-16(4-2)8-9-17-13-7-5-6-12(14)11(13)10-15/h5-7H,3-4,8-9H2,1-2H3
InChIKeyHSRDETZNCJCHGJ-UHFFFAOYSA-N
XLogP2.42
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile 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-6-(4-methoxybutoxy)benzonitrile
CID 115777027
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-(3,3-diethoxypropoxy)-6-fluorobenzonitrile
CID 63629983
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850
N,N-diethyl-2-(3-fluoro-2-nitrophenoxy)ethanamine
CID 55101038
2-fluoro-6-[2-(4-methylphenyl)ethoxy]benzonitrile
CID 66924061
2-fluoro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzonitrile
CID 116628106
2-[2-(3,5-dimethoxyphenyl)ethoxy]-6-fluorobenzonitrile
CID 69356379
2-[2-(bromomethyl)-2-propylpentoxy]-6-fluorobenzonitrile
CID 65005746
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-fluoro-6-(2-naphthalen-1-ylethoxy)benzonitrile
CID 69358024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile (CID 79512645) is 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile is CCN(CC)CCOc1cccc(F)c1C#N.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile?
The InChIKey is HSRDETZNCJCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-16(4-2)8-9-17-13-7-5-6-12(14)11(13)10-15/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile?
2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile has a molecular weight of 236.29 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 79512645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).