2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile

C19H10F4N2 — CID 5221082

IUPAC2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C19H10F4N2/c20-15-14(16(21)18(23)25-17(15)22)19(11-24,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyDESFNBLSLMTSIL-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.50
Rot. Bonds3

About 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile

2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile (PubChem CID 5221082) has the molecular formula C19H10F4N2 and a molecular weight of 342.30 g/mol. Its IUPAC name is 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
PubChem CID5221082
Molecular FormulaC19H10F4N2
Molecular Weight342.30 g/mol
Exact Mass342.08
IUPAC Name2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C19H10F4N2/c20-15-14(16(21)18(23)25-17(15)22)19(11-24,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyDESFNBLSLMTSIL-UHFFFAOYSA-N
XLogP4.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.50
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-phenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)propanenitrile
CID 12949947
diphenyl-(2,3,5,6-tetrafluoro-4-pyridinyl)methanol
CID 23233940
2,2-diphenyl-2-pyrimidin-5-ylacetonitrile
CID 18994305
2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
CID 24799665
2,3,5,6-tetrafluoro-4-[(E)-2-phenylethenyl]pyridine
CID 1402131
2-diphenylphosphanyl-2-fluoro-2-phenylacetonitrile
CID 15446199
(2R)-2-chloro-2-fluoro-2-phenylacetonitrile
CID 26986003
2-cyano-2-(2,3,5,6-tetrafluoro-4-pyridinyl)butanoic acid
CID 70654387
2,2-bis(3-fluorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 24799493
2,3-diphenyl-2,3-dipyridin-4-ylbutanedinitrile
CID 22359101
4-tert-butyl-2,3,5,6-tetrafluoropyridine
CID 59773413
2-hydroxy-2-phenyl-2-sulfanylacetonitrile
CID 54416139

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The IUPAC name of 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile (CID 5221082) is 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The canonical SMILES for 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile is N#CC(c1ccccc1)(c1ccccc1)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
The InChIKey is DESFNBLSLMTSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2/c20-15-14(16(21)18(23)25-17(15)22)19(11-24,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H.
What are the key properties of 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile?
2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile has a molecular weight of 342.30 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile is sourced from PubChem (CID 5221082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).