3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile

C14H9F2NO — CID 102818151

IUPAC3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2cc(F)cc(C#N)c2)c1
InChIInChI=1S/C14H9F2NO/c1-9-2-3-13(16)14(4-9)18-12-6-10(8-17)5-11(15)7-12/h2-7H,1H3
InChIKeyIBIRUPQCTFTYHV-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.94
Rot. Bonds2

About 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile

3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile (PubChem CID 102818151) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
PubChem CID102818151
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2cc(F)cc(C#N)c2)c1
InChIInChI=1S/C14H9F2NO/c1-9-2-3-13(16)14(4-9)18-12-6-10(8-17)5-11(15)7-12/h2-7H,1H3
InChIKeyIBIRUPQCTFTYHV-UHFFFAOYSA-N
XLogP3.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(2-fluoro-5-methylphenoxy)benzonitrile
CID 81283852
3-(3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817820
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
3-fluoro-5-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 102818187
3-(3-chloro-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102818128
5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855784
3-(2-bromo-4-fluorophenoxy)-5-fluorobenzonitrile
CID 102817771
3-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 102817773
3-(4-chloro-3,5-dimethylphenoxy)-5-fluorobenzonitrile
CID 102817962
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile
CID 102818270
5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile?
The IUPAC name of 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile (CID 102818151) is 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile?
The canonical SMILES for 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile is Cc1ccc(F)c(Oc2cc(F)cc(C#N)c2)c1.
What is the InChIKey of 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile?
The InChIKey is IBIRUPQCTFTYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-9-2-3-13(16)14(4-9)18-12-6-10(8-17)5-11(15)7-12/h2-7H,1H3.
What are the key properties of 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile?
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile has a molecular weight of 245.23 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile is sourced from PubChem (CID 102818151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).