2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile

C15H9F4NO — CID 143183138

IUPAC2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile
SMILESCC(F)(F)c1cc(Oc2c(F)cccc2F)ccc1C#N
InChIInChI=1S/C15H9F4NO/c1-15(18,19)11-7-10(6-5-9(11)8-20)21-14-12(16)3-2-4-13(14)17/h2-7H,1H3
InChIKeyDTXQXTKPUQODID-UHFFFAOYSA-N
MW295.24 g/mol
LogP4.74
Rot. Bonds3

About 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile

2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile (PubChem CID 143183138) has the molecular formula C15H9F4NO and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile
PubChem CID143183138
Molecular FormulaC15H9F4NO
Molecular Weight295.24 g/mol
Exact Mass295.06
IUPAC Name2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile
SMILESCC(F)(F)c1cc(Oc2c(F)cccc2F)ccc1C#N
InChIInChI=1S/C15H9F4NO/c1-15(18,19)11-7-10(6-5-9(11)8-20)21-14-12(16)3-2-4-13(14)17/h2-7H,1H3
InChIKeyDTXQXTKPUQODID-UHFFFAOYSA-N
XLogP4.74
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-3-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 107658030
4-(4-methylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43138559
2-(3,4-difluorophenoxy)-3-methylbenzonitrile
CID 107107508
4-(3,4-dimethylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320722
4-(4-formylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 51051320
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]but-1-enoxy]-2-(trifluoromethyl)benzonitrile
CID 90949781
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
2-[[3-tert-butyl-5-[(2-cyano-6-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 175756019
4-(2-amino-5-fluorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43363934

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile?
The IUPAC name of 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile (CID 143183138) is 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile is CC(F)(F)c1cc(Oc2c(F)cccc2F)ccc1C#N.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile?
The InChIKey is DTXQXTKPUQODID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO/c1-15(18,19)11-7-10(6-5-9(11)8-20)21-14-12(16)3-2-4-13(14)17/h2-7H,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile?
2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile has a molecular weight of 295.24 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-(2,6-difluorophenoxy)benzonitrile is sourced from PubChem (CID 143183138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).