2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile

C15H8F6N2 — CID 56604846

IUPAC2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H8F6N2/c16-14(17,18)10-6-4-9(5-7-10)11(8-22)12-2-1-3-13(23-12)15(19,20)21/h1-7,11H
InChIKeyMAGYXOBGPCOFAY-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.77
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 56604846) has the molecular formula C15H8F6N2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID56604846
Molecular FormulaC15H8F6N2
Molecular Weight330.23 g/mol
Exact Mass330.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H8F6N2/c16-14(17,18)10-6-4-9(5-7-10)11(8-22)12-2-1-3-13(23-12)15(19,20)21/h1-7,11H
InChIKeyMAGYXOBGPCOFAY-UHFFFAOYSA-N
XLogP4.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 56604846) is 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CC(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is MAGYXOBGPCOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2/c16-14(17,18)10-6-4-9(5-7-10)11(8-22)12-2-1-3-13(23-12)15(19,20)21/h1-7,11H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 330.23 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 56604846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).