(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile

C14H18BrN — CID 129363501

IUPAC(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile
SMILESCC(C)[C@](C#N)(CCCBr)c1ccccc1
InChIInChI=1S/C14H18BrN/c1-12(2)14(11-16,9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyMOBFAVLOQBFQIW-CQSZACIVSA-N
MW280.21 g/mol
LogP4.28
Rot. Bonds5

About (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile

(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile (PubChem CID 129363501) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile
PubChem CID129363501
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile
SMILESCC(C)[C@](C#N)(CCCBr)c1ccccc1
InChIInChI=1S/C14H18BrN/c1-12(2)14(11-16,9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyMOBFAVLOQBFQIW-CQSZACIVSA-N
XLogP4.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile?
The IUPAC name of (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile (CID 129363501) is (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile.
What is the SMILES notation for (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile?
The canonical SMILES for (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile is CC(C)[C@](C#N)(CCCBr)c1ccccc1.
What is the InChIKey of (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile?
The InChIKey is MOBFAVLOQBFQIW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18BrN/c1-12(2)14(11-16,9-6-10-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile?
(2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile has a molecular weight of 280.21 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-bromo-2-phenyl-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 129363501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).