2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile

C14H6F2N2O — CID 78952780

IUPAC2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cccc(F)c2C#N)cc1F
InChIInChI=1S/C14H6F2N2O/c15-12-2-1-3-14(11(12)8-18)19-10-5-4-9(7-17)13(16)6-10/h1-6H
InChIKeyJYGPXOHTEQREDU-UHFFFAOYSA-N
MW256.21 g/mol
LogP3.50
Rot. Bonds2

About 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile

2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile (PubChem CID 78952780) has the molecular formula C14H6F2N2O and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
PubChem CID78952780
Molecular FormulaC14H6F2N2O
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2cccc(F)c2C#N)cc1F
InChIInChI=1S/C14H6F2N2O/c15-12-2-1-3-14(11(12)8-18)19-10-5-4-9(7-17)13(16)6-10/h1-6H
InChIKeyJYGPXOHTEQREDU-UHFFFAOYSA-N
XLogP3.50
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-4-nitrophenoxy)-6-fluorobenzonitrile
CID 115501499
2-(3-chlorophenoxy)-6-fluorobenzonitrile
CID 24777412
3-(2-cyano-3-fluorophenoxy)benzoic acid
CID 63943454
2-[3-(dimethylamino)phenoxy]-6-fluorobenzonitrile
CID 79512940
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
2-[3-(chloromethyl)phenoxy]-6-fluorobenzonitrile
CID 112594505
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-fluoro-6-quinolin-7-yloxybenzonitrile
CID 107313648

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile (CID 78952780) is 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile is N#Cc1ccc(Oc2cccc(F)c2C#N)cc1F.
What is the InChIKey of 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile?
The InChIKey is JYGPXOHTEQREDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F2N2O/c15-12-2-1-3-14(11(12)8-18)19-10-5-4-9(7-17)13(16)6-10/h1-6H.
What are the key properties of 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile?
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile has a molecular weight of 256.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 78952780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).