3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile

C14H8F3NO — CID 81283852

IUPAC3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2c(F)cc(C#N)cc2F)c1
InChIInChI=1S/C14H8F3NO/c1-8-2-3-10(15)13(4-8)19-14-11(16)5-9(7-18)6-12(14)17/h2-6H,1H3
InChIKeyCYROGCZIXBPPFE-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.08
Rot. Bonds2

About 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile

3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile (PubChem CID 81283852) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
PubChem CID81283852
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2c(F)cc(C#N)cc2F)c1
InChIInChI=1S/C14H8F3NO/c1-8-2-3-10(15)13(4-8)19-14-11(16)5-9(7-18)6-12(14)17/h2-6H,1H3
InChIKeyCYROGCZIXBPPFE-UHFFFAOYSA-N
XLogP4.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile 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

3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
3,5-difluoro-4-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81283347
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
4-(2-amino-5-fluorophenoxy)-3,5-difluorobenzonitrile
CID 81294672
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)benzonitrile
CID 43657438
4-(5-amino-2-bromophenoxy)-3,5-difluorobenzonitrile
CID 103011501
4-(2-cyano-4-methylphenoxy)-3,5-dimethylbenzonitrile
CID 107928220
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile?
The IUPAC name of 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile (CID 81283852) is 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile?
The canonical SMILES for 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile is Cc1ccc(F)c(Oc2c(F)cc(C#N)cc2F)c1.
What is the InChIKey of 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile?
The InChIKey is CYROGCZIXBPPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c1-8-2-3-10(15)13(4-8)19-14-11(16)5-9(7-18)6-12(14)17/h2-6H,1H3.
What are the key properties of 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile?
3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile has a molecular weight of 263.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile is sourced from PubChem (CID 81283852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).