2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile

C14H8F3NO — CID 103760279

IUPAC2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(F)cc1F
InChIInChI=1S/C14H8F3NO/c15-11-2-1-9(7-18)10(5-11)8-19-14-4-3-12(16)6-13(14)17/h1-6H,8H2
InChIKeyRMHSJKTYDRSXDG-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.55
Rot. Bonds3

About 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile

2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile (PubChem CID 103760279) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
PubChem CID103760279
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc(F)cc1F
InChIInChI=1S/C14H8F3NO/c15-11-2-1-9(7-18)10(5-11)8-19-14-4-3-12(16)6-13(14)17/h1-6H,8H2
InChIKeyRMHSJKTYDRSXDG-UHFFFAOYSA-N
XLogP3.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(2,4-difluorophenoxy)methyl]-4-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-[[2-(aminomethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902675
2-[[2-(2-aminoethyl)-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906833
4-fluoro-2-[(2-methoxy-4-methylphenoxy)methyl]benzonitrile
CID 103759966
2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906213
2-[(4-chlorophenoxy)methyl]-4-fluorobenzonitrile
CID 103759928
2-[(5-amino-2-methylphenoxy)methyl]-4-fluorobenzonitrile
CID 107902628
3-[(2-cyano-5-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760048
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645
2-[[2-[(1R)-1-aminoethyl]-4-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107902706
4-fluoro-2-[[4-methyl-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902701
2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-4-fluorobenzonitrile
CID 107906244
2-[(2-bromo-4-formylphenoxy)methyl]-4-fluorobenzonitrile
CID 103760238

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile (CID 103760279) is 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1COc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile?
The InChIKey is RMHSJKTYDRSXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-11-2-1-9(7-18)10(5-11)8-19-14-4-3-12(16)6-13(14)17/h1-6H,8H2.
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile?
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 103760279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).