2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile

C14H8F4N2 — CID 12949947

IUPAC2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile
SMILESCC(C#N)(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C14H8F4N2/c1-14(7-19,8-5-3-2-4-6-8)9-10(15)12(17)20-13(18)11(9)16/h2-6H,1H3
InChIKeyRFECINBCFUWOQG-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.47
Rot. Bonds2

About 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile

2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile (PubChem CID 12949947) has the molecular formula C14H8F4N2 and a molecular weight of 280.22 g/mol. Its IUPAC name is 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile.

Molecular Properties

Compound Name2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile
PubChem CID12949947
Molecular FormulaC14H8F4N2
Molecular Weight280.22 g/mol
Exact Mass280.06
IUPAC Name2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile
SMILESCC(C#N)(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C14H8F4N2/c1-14(7-19,8-5-3-2-4-6-8)9-10(15)12(17)20-13(18)11(9)16/h2-6H,1H3
InChIKeyRFECINBCFUWOQG-UHFFFAOYSA-N
XLogP3.47
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
CID 5221082
diphenyl-(2,3,5,6-tetrafluoro-4-pyridinyl)methanol
CID 23233940
2-phenyl-2-pyrimidin-2-ylpropanenitrile
CID 54298201
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
4-tert-butyl-2,3,5,6-tetrafluoropyridine
CID 59773413
2-(6-amino-5-nitro-2-pyridinyl)-2-phenylpropanenitrile
CID 100924076
2-cyano-2-(2,3,5,6-tetrafluoro-4-pyridinyl)butanoic acid
CID 70654387
2-amino-2-(4-phenylphenyl)propanenitrile
CID 16783156
2,4-diphenylbut-3-yn-2-ylbenzene
CID 13072781
2-phenylbut-3-yn-2-ylbenzene;rubidium(1+)
CID 59695592
2-(3-fluoro-4-phenylphenyl)-2-methylpropanedinitrile
CID 175411636
tert-butylbenzene;molecular nitrogen
CID 146464751

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile?
The IUPAC name of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile (CID 12949947) is 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile.
What is the SMILES notation for 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile?
The canonical SMILES for 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile is CC(C#N)(c1ccccc1)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile?
The InChIKey is RFECINBCFUWOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2/c1-14(7-19,8-5-3-2-4-6-8)9-10(15)12(17)20-13(18)11(9)16/h2-6H,1H3.
What are the key properties of 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile?
2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile has a molecular weight of 280.22 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile is sourced from PubChem (CID 12949947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).