2-(2-fluorophenoxy)-3-methylbenzonitrile

C14H10FNO — CID 107107441

IUPAC2-(2-fluorophenoxy)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccccc1F
InChIInChI=1S/C14H10FNO/c1-10-5-4-6-11(9-16)14(10)17-13-8-3-2-7-12(13)15/h2-8H,1H3
InChIKeyHPMJIWJHCPUVAR-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.80
Rot. Bonds2

About 2-(2-fluorophenoxy)-3-methylbenzonitrile

2-(2-fluorophenoxy)-3-methylbenzonitrile (PubChem CID 107107441) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-3-methylbenzonitrile
PubChem CID107107441
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name2-(2-fluorophenoxy)-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1Oc1ccccc1F
InChIInChI=1S/C14H10FNO/c1-10-5-4-6-11(9-16)14(10)17-13-8-3-2-7-12(13)15/h2-8H,1H3
InChIKeyHPMJIWJHCPUVAR-UHFFFAOYSA-N
XLogP3.80
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(2-propoxyphenoxy)benzonitrile
CID 107107419
2-(3,4-difluorophenoxy)-3-methylbenzonitrile
CID 107107508
2-[2-(2-hydroxyethyl)phenoxy]-3-methylbenzonitrile
CID 107712408
2-(2-amino-4-bromo-5-fluorophenoxy)-3-methylbenzonitrile
CID 107111227
2-(2-amino-6-methylphenoxy)-6-fluorobenzonitrile
CID 113333829
2-(2-amino-4-cyanophenoxy)-3-methylbenzonitrile
CID 107111200
2-[4-amino-2-(trifluoromethyl)phenoxy]-3-methylbenzonitrile
CID 107111202
2-(5-amino-2-bromophenoxy)-3-methylbenzonitrile
CID 107111225
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494
amino-[3-(2-cyano-6-fluorophenoxy)-4-fluorophenyl]-oxoazanium
CID 173075793
4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
2-(2-fluorophenoxy)-6-methylphenol
CID 20513456

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-3-methylbenzonitrile?
The IUPAC name of 2-(2-fluorophenoxy)-3-methylbenzonitrile (CID 107107441) is 2-(2-fluorophenoxy)-3-methylbenzonitrile.
What is the SMILES notation for 2-(2-fluorophenoxy)-3-methylbenzonitrile?
The canonical SMILES for 2-(2-fluorophenoxy)-3-methylbenzonitrile is Cc1cccc(C#N)c1Oc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-3-methylbenzonitrile?
The InChIKey is HPMJIWJHCPUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-10-5-4-6-11(9-16)14(10)17-13-8-3-2-7-12(13)15/h2-8H,1H3.
What are the key properties of 2-(2-fluorophenoxy)-3-methylbenzonitrile?
2-(2-fluorophenoxy)-3-methylbenzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-3-methylbenzonitrile is sourced from PubChem (CID 107107441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).