2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile

C15H13FN2O — CID 79512940

IUPAC2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
SMILESCN(C)c1cccc(Oc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H13FN2O/c1-18(2)11-5-3-6-12(9-11)19-15-8-4-7-14(16)13(15)10-17/h3-9H,1-2H3
InChIKeyIZOVJEPWSBAPTF-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.56
Rot. Bonds3

About 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile

2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile (PubChem CID 79512940) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
PubChem CID79512940
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
SMILESCN(C)c1cccc(Oc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H13FN2O/c1-18(2)11-5-3-6-12(9-11)19-15-8-4-7-14(16)13(15)10-17/h3-9H,1-2H3
InChIKeyIZOVJEPWSBAPTF-UHFFFAOYSA-N
XLogP3.56
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
2-amino-3-[3-(dimethylamino)phenoxy]benzonitrile
CID 104717231
2-[3-(chloromethyl)phenoxy]-6-fluorobenzonitrile
CID 112594505
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 81061272
3-[3-(dimethylamino)phenoxy]benzonitrile
CID 102818049
3-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile (CID 79512940) is 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile is CN(C)c1cccc(Oc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile?
The InChIKey is IZOVJEPWSBAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-18(2)11-5-3-6-12(9-11)19-15-8-4-7-14(16)13(15)10-17/h3-9H,1-2H3.
What are the key properties of 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile?
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 79512940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).