3-(1-cyanoethoxy)-5-fluorobenzonitrile

C10H7FN2O — CID 130568484

IUPAC3-(1-cyanoethoxy)-5-fluorobenzonitrile
SMILESCC(C#N)Oc1cc(F)cc(C#N)c1
InChIInChI=1S/C10H7FN2O/c1-7(5-12)14-10-3-8(6-13)2-9(11)4-10/h2-4,7H,1H3
InChIKeyLBLXIWBNBBTKGI-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.99
Rot. Bonds2

About 3-(1-cyanoethoxy)-5-fluorobenzonitrile

3-(1-cyanoethoxy)-5-fluorobenzonitrile (PubChem CID 130568484) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 3-(1-cyanoethoxy)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(1-cyanoethoxy)-5-fluorobenzonitrile
PubChem CID130568484
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name3-(1-cyanoethoxy)-5-fluorobenzonitrile
SMILESCC(C#N)Oc1cc(F)cc(C#N)c1
InChIInChI=1S/C10H7FN2O/c1-7(5-12)14-10-3-8(6-13)2-9(11)4-10/h2-4,7H,1H3
InChIKeyLBLXIWBNBBTKGI-UHFFFAOYSA-N
XLogP1.99
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1-cyanoethoxy)-5-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

3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817820
2-(3,4-difluorophenoxy)propanenitrile
CID 60666917
(3-cyano-5-fluorophenoxy)boronic acid
CID 142793268
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
3-fluoro-5-(2-methylprop-2-enoxy)benzonitrile
CID 130568488
3-(difluoromethoxy)-5-propan-2-ylbenzonitrile
CID 171630856
3-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
2-(3-bromo-4-fluorophenoxy)propanenitrile
CID 83233217
3-chloro-5-propan-2-yloxybenzonitrile
CID 58503685
3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile
CID 102818270
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanenitrile
CID 107719599

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyanoethoxy)-5-fluorobenzonitrile?
The IUPAC name of 3-(1-cyanoethoxy)-5-fluorobenzonitrile (CID 130568484) is 3-(1-cyanoethoxy)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(1-cyanoethoxy)-5-fluorobenzonitrile?
The canonical SMILES for 3-(1-cyanoethoxy)-5-fluorobenzonitrile is CC(C#N)Oc1cc(F)cc(C#N)c1.
What is the InChIKey of 3-(1-cyanoethoxy)-5-fluorobenzonitrile?
The InChIKey is LBLXIWBNBBTKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c1-7(5-12)14-10-3-8(6-13)2-9(11)4-10/h2-4,7H,1H3.
What are the key properties of 3-(1-cyanoethoxy)-5-fluorobenzonitrile?
3-(1-cyanoethoxy)-5-fluorobenzonitrile has a molecular weight of 190.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyanoethoxy)-5-fluorobenzonitrile is sourced from PubChem (CID 130568484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).