4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile

C15H5F5N2 — CID 142414266

IUPAC4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(F)c(C#N)c(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H5F5N2/c16-13-4-9(5-14(17)11(13)7-22)10-2-1-8(6-21)3-12(10)15(18,19)20/h1-5H
InChIKeyVZKAFBGESHYKBP-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.39
Rot. Bonds1

About 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile

4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile (PubChem CID 142414266) has the molecular formula C15H5F5N2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile
PubChem CID142414266
Molecular FormulaC15H5F5N2
Molecular Weight308.21 g/mol
Exact Mass308.04
IUPAC Name4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile
SMILESN#Cc1ccc(-c2cc(F)c(C#N)c(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H5F5N2/c16-13-4-9(5-14(17)11(13)7-22)10-2-1-8(6-21)3-12(10)15(18,19)20/h1-5H
InChIKeyVZKAFBGESHYKBP-UHFFFAOYSA-N
XLogP4.39
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2,4-bis(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile
CID 134473360
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,5-difluorobenzonitrile
CID 142414168
4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545
4-[4-[[4-(4-cyano-2-fluorophenyl)-2,6-difluorophenyl]-difluoromethoxy]-2-fluorophenyl]-2,6-difluorobenzonitrile
CID 163388807
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(2,7-dimethylcarbazol-9-yl)benzonitrile
CID 142414228
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 153302970
2,6-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile
CID 153303040
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162609088
4-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)benzonitrile
CID 170855217
4-(bromomethyl)-3-(trifluoromethyl)benzonitrile
CID 58827160
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[3,2-b]carbazol-5-yl)benzonitrile
CID 153302965
3-(3-chloro-5-fluorophenyl)-4-fluorobenzonitrile
CID 172915301

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile?
The IUPAC name of 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile (CID 142414266) is 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile?
The canonical SMILES for 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile is N#Cc1ccc(-c2cc(F)c(C#N)c(F)c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile?
The InChIKey is VZKAFBGESHYKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F5N2/c16-13-4-9(5-14(17)11(13)7-22)10-2-1-8(6-21)3-12(10)15(18,19)20/h1-5H.
What are the key properties of 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile?
4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile has a molecular weight of 308.21 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-difluorobenzonitrile is sourced from PubChem (CID 142414266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).