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

C14H9F2NO — CID 64855784

IUPAC5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2ccc(F)cc2C#N)c1
InChIInChI=1S/C14H9F2NO/c1-9-2-4-12(16)14(6-9)18-13-5-3-11(15)7-10(13)8-17/h2-7H,1H3
InChIKeyAFSLVVACGGAODH-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.94
Rot. Bonds2

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

5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile (PubChem CID 64855784) has the molecular formula C14H9F2NO and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
PubChem CID64855784
Molecular FormulaC14H9F2NO
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile
SMILESCc1ccc(F)c(Oc2ccc(F)cc2C#N)c1
InChIInChI=1S/C14H9F2NO/c1-9-2-4-12(16)14(6-9)18-13-5-3-11(15)7-10(13)8-17/h2-7H,1H3
InChIKeyAFSLVVACGGAODH-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

5-chloro-2-(2-fluoro-5-methylphenoxy)benzonitrile
CID 64855399
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360
2-(4-amino-2,5-difluorophenoxy)-5-methylbenzonitrile
CID 107931379
2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 63269377
3-(2-fluoro-5-methylphenoxy)pyridine-4-carbonitrile
CID 113269475
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
2-(2,5-difluorophenoxy)-5-methylaniline
CID 63269185
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
4-(2-cyano-4-fluorophenoxy)-3,5-dimethylbenzonitrile
CID 65470191

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
The IUPAC name of 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile (CID 64855784) is 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
The canonical SMILES for 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile is Cc1ccc(F)c(Oc2ccc(F)cc2C#N)c1.
What is the InChIKey of 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
The InChIKey is AFSLVVACGGAODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO/c1-9-2-4-12(16)14(6-9)18-13-5-3-11(15)7-10(13)8-17/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile?
5-fluoro-2-(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 5-fluoro-2-(2-fluoro-5-methylphenoxy)benzonitrile is sourced from PubChem (CID 64855784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).