2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile

C15H8F2N2O — CID 43609088

IUPAC2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1ccc(COc2cccc(F)c2C#N)c(F)c1
InChIInChI=1S/C15H8F2N2O/c16-13-2-1-3-15(12(13)8-19)20-9-11-5-4-10(7-18)6-14(11)17/h1-6H,9H2
InChIKeyXAXGUXSDIHLPTP-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.29
Rot. Bonds3

About 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile

2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile (PubChem CID 43609088) has the molecular formula C15H8F2N2O and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
PubChem CID43609088
Molecular FormulaC15H8F2N2O
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1ccc(COc2cccc(F)c2C#N)c(F)c1
InChIInChI=1S/C15H8F2N2O/c16-13-2-1-3-15(12(13)8-19)20-9-11-5-4-10(7-18)6-14(11)17/h1-6H,9H2
InChIKeyXAXGUXSDIHLPTP-UHFFFAOYSA-N
XLogP3.29
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(4-fluoro-2-methylphenyl)methoxy]benzonitrile
CID 113411841
4-[(3-amino-2-methylphenoxy)methyl]-3-fluorobenzonitrile
CID 43437885
4-[[2-(aminomethyl)-6-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 115952042
3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 102665921
2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid
CID 107341578
4-[(4-amino-2,5-difluorophenoxy)methyl]-3-fluorobenzonitrile
CID 63597416
4-[(4-bromo-2-fluorophenoxy)methyl]-3-fluorobenzonitrile
CID 28880519
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
4-[[2-(2-aminoethyl)-4-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107700296
3-fluoro-4-[[2-(3-hydroxyprop-1-ynyl)phenoxy]methyl]benzonitrile
CID 60800589
4-[(2-butan-2-ylphenoxy)methyl]-3-fluorobenzonitrile
CID 43080958
3-fluoro-4-[(4-fluoro-2-formylphenoxy)methyl]benzonitrile
CID 107697217

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile (CID 43609088) is 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile is N#Cc1ccc(COc2cccc(F)c2C#N)c(F)c1.
What is the InChIKey of 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile?
The InChIKey is XAXGUXSDIHLPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N2O/c16-13-2-1-3-15(12(13)8-19)20-9-11-5-4-10(7-18)6-14(11)17/h1-6H,9H2.
What are the key properties of 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile?
2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-2-fluorophenyl)methoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 43609088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).