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

C14H10FNSe — CID 11666436

IUPAC2-(4-fluorophenyl)selanyl-2-phenylacetonitrile
SMILESN#CC([Se]c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H10FNSe/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14H
InChIKeyMREMXKAEJGMNBA-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.42
Rot. Bonds3

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

2-(4-fluorophenyl)selanyl-2-phenylacetonitrile (PubChem CID 11666436) has the molecular formula C14H10FNSe and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)selanyl-2-phenylacetonitrile
PubChem CID11666436
Molecular FormulaC14H10FNSe
Molecular Weight290.20 g/mol
Exact Mass291.00
IUPAC Name2-(4-fluorophenyl)selanyl-2-phenylacetonitrile
SMILESN#CC([Se]c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H10FNSe/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14H
InChIKeyMREMXKAEJGMNBA-UHFFFAOYSA-N
XLogP2.42
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
CID 3876114
2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile
CID 51075291
2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetonitrile
CID 94600297
3-[2-(4-fluorophenyl)ethylamino]-2-phenylpropanenitrile
CID 64535575
1-[cyano(phenyl)methyl]-3-(4-fluorophenyl)urea
CID 60706067
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
(2S,3R)-2,3-diphenylbutanedinitrile
CID 714999
acetonitrile;fluorobenzene
CID 161293725
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246
3-(4-fluorophenyl)sulfinyl-2-phenylpropanenitrile
CID 64690038
[(4-fluorophenyl)-phenylmethyl]chloranium
CID 142220193
(4-fluorophenyl)-phenylmethanamine
CID 11183272

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile?
The IUPAC name of 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile (CID 11666436) is 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile is N#CC([Se]c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile?
The InChIKey is MREMXKAEJGMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNSe/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14H.
What are the key properties of 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile?
2-(4-fluorophenyl)selanyl-2-phenylacetonitrile has a molecular weight of 290.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)selanyl-2-phenylacetonitrile is sourced from PubChem (CID 11666436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).