2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile

C20H13F2N — CID 24799665

IUPAC2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C20H13F2N/c21-17-12-10-16(11-13-17)20(14-23,15-6-2-1-3-7-15)18-8-4-5-9-19(18)22/h1-13H
InChIKeyGCBLBZHTXIQPKL-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.82
Rot. Bonds3

About 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile

2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile (PubChem CID 24799665) has the molecular formula C20H13F2N and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
PubChem CID24799665
Molecular FormulaC20H13F2N
Molecular Weight305.33 g/mol
Exact Mass305.10
IUPAC Name2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C20H13F2N/c21-17-12-10-16(11-13-17)20(14-23,15-6-2-1-3-7-15)18-8-4-5-9-19(18)22/h1-13H
InChIKeyGCBLBZHTXIQPKL-UHFFFAOYSA-N
XLogP4.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol
CID 102246639
2,2-bis(3-fluorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 24799493
O-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl] carbamothioate
CID 90781690
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
2,2-bis[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)acetonitrile
CID 102013870
1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
CID 3401
2,2-diphenyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetonitrile
CID 5221082
[1-(2-fluorophenyl)-1-(4-fluorophenyl)ethyl]phosphonic acid
CID 66796365
2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile
CID 126987057
2-(2-fluorophenyl)-2,2-dinitroacetonitrile
CID 141453913
magnesium;diphenylmethanone;fluorobenzene;2-(2-fluorophenyl)-2,2-diphenylacetamide;2-(2-fluorophenyl)-2,2-diphenylacetonitrile;(2-fluorophenyl)-diphenylmethanol;bromide
CID 158267022
3,3-difluoro-3-(2-fluorophenyl)propanenitrile
CID 83855469

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile?
The IUPAC name of 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile (CID 24799665) is 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile?
The canonical SMILES for 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile is N#CC(c1ccccc1)(c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile?
The InChIKey is GCBLBZHTXIQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N/c21-17-12-10-16(11-13-17)20(14-23,15-6-2-1-3-7-15)18-8-4-5-9-19(18)22/h1-13H.
What are the key properties of 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile?
2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile has a molecular weight of 305.33 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile is sourced from PubChem (CID 24799665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).