4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile

C15H9F4NO — CID 107658030

IUPAC4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1F
InChIInChI=1S/C15H9F4NO/c1-9-3-2-4-13(14(9)16)21-11-6-5-10(8-20)12(7-11)15(17,18)19/h2-7H,1H3
InChIKeyGFIPCLNKKFWBOZ-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.82
Rot. Bonds2

About 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile

4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile (PubChem CID 107658030) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
PubChem CID107658030
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
SMILESCc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1F
InChIInChI=1S/C15H9F4NO/c1-9-3-2-4-13(14(9)16)21-11-6-5-10(8-20)12(7-11)15(17,18)19/h2-7H,1H3
InChIKeyGFIPCLNKKFWBOZ-UHFFFAOYSA-N
XLogP4.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320722
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559
4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43363934
4-(2-chloro-5-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43364396
4-[2-(1-aminoethyl)-4-fluorophenoxy]-2-(trifluoromethyl)benzonitrile
CID 11702559
4-(2-amino-3-methylphenoxy)-2-fluorobenzonitrile
CID 114041417
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716
2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile
CID 143183138
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
CID 81279070
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile (CID 107658030) is 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile is Cc1cccc(Oc2ccc(C#N)c(C(F)(F)F)c2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
The InChIKey is GFIPCLNKKFWBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c1-9-3-2-4-13(14(9)16)21-11-6-5-10(8-20)12(7-11)15(17,18)19/h2-7H,1H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile?
4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile has a molecular weight of 295.24 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 107658030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).