2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile

C15H11F2NO — CID 103758922

IUPAC2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
SMILESCc1ccc(F)c(OCc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C15H11F2NO/c1-10-2-4-14(17)15(6-10)19-9-11-3-5-13(16)12(7-11)8-18/h2-7H,9H2,1H3
InChIKeyCVUQXXYABWOXFA-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.72
Rot. Bonds3

About 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile

2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile (PubChem CID 103758922) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
PubChem CID103758922
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
SMILESCc1ccc(F)c(OCc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C15H11F2NO/c1-10-2-4-14(17)15(6-10)19-9-11-3-5-13(16)12(7-11)8-18/h2-7H,9H2,1H3
InChIKeyCVUQXXYABWOXFA-UHFFFAOYSA-N
XLogP3.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-2-fluorobenzonitrile
CID 103758788
4-[(2-fluoro-5-methylphenoxy)methyl]-2-methoxybenzonitrile
CID 106788631
5-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107878012
5-[[2-(1-aminoethyl)-4-methylphenoxy]methyl]-2-fluorobenzonitrile
CID 107878947
5-[(5-chloro-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 114012400
5-[(4-bromo-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107881454
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile
CID 103912314
2-fluoro-5-[(2-fluoro-3-pyridinyl)oxymethyl]benzonitrile
CID 107889224
[2-[(3-cyano-4-fluorophenyl)methoxy]phenyl]boronic acid
CID 107882689
2-fluoro-5-[(4-propylphenoxy)methyl]benzonitrile
CID 107882225

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile (CID 103758922) is 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile is Cc1ccc(F)c(OCc2ccc(F)c(C#N)c2)c1.
What is the InChIKey of 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile?
The InChIKey is CVUQXXYABWOXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c1-10-2-4-14(17)15(6-10)19-9-11-3-5-13(16)12(7-11)8-18/h2-7H,9H2,1H3.
What are the key properties of 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile?
2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile has a molecular weight of 259.26 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-fluoro-5-methylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 103758922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).