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

C15H9F4NO — CID 163361366

IUPAC2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C15H9F4NO/c1-9-6-12(16)4-5-13(9)21-14-7-11(15(17,18)19)3-2-10(14)8-20/h2-7H,1H3
InChIKeyMLDKEDYLOUZQTN-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.82
Rot. Bonds2

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

2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile (PubChem CID 163361366) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
PubChem CID163361366
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C15H9F4NO/c1-9-6-12(16)4-5-13(9)21-14-7-11(15(17,18)19)3-2-10(14)8-20/h2-7H,1H3
InChIKeyMLDKEDYLOUZQTN-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

2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 63269377
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-[2-chloro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 83409482
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313
2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
CID 12805692
2-cyclopenta-1,3-dien-1-yloxy-4-(trifluoromethyl)benzonitrile
CID 172944931
4-[2-amino-4-(trifluoromethyl)phenoxy]-2-methylbenzonitrile
CID 82000455
2-(2-chloro-4-methylphenoxy)-5-fluorobenzonitrile
CID 55232518
2-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzonitrile
CID 172915525
2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 114672339
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile (CID 163361366) is 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile is Cc1cc(F)ccc1Oc1cc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile?
The InChIKey is MLDKEDYLOUZQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c1-9-6-12(16)4-5-13(9)21-14-7-11(15(17,18)19)3-2-10(14)8-20/h2-7H,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile?
2-(4-fluoro-2-methylphenoxy)-4-(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 2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 163361366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).