(2R)-2-(2-bromophenyl)decanenitrile

C16H22BrN — CID 125466877

IUPAC(2R)-2-(2-bromophenyl)decanenitrile
SMILESCCCCCCCC[C@@H](C#N)c1ccccc1Br
InChIInChI=1S/C16H22BrN/c1-2-3-4-5-6-7-10-14(13-18)15-11-8-9-12-16(15)17/h8-9,11-12,14H,2-7,10H2,1H3/t14-/m0/s1
InChIKeyQCTVAZSRHSBJFK-AWEZNQCLSA-N
MW308.26 g/mol
LogP5.81
Rot. Bonds8

About (2R)-2-(2-bromophenyl)decanenitrile

(2R)-2-(2-bromophenyl)decanenitrile (PubChem CID 125466877) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)decanenitrile.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)decanenitrile
PubChem CID125466877
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name(2R)-2-(2-bromophenyl)decanenitrile
SMILESCCCCCCCC[C@@H](C#N)c1ccccc1Br
InChIInChI=1S/C16H22BrN/c1-2-3-4-5-6-7-10-14(13-18)15-11-8-9-12-16(15)17/h8-9,11-12,14H,2-7,10H2,1H3/t14-/m0/s1
InChIKeyQCTVAZSRHSBJFK-AWEZNQCLSA-N
XLogP5.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.26
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
1-bromo-2-heptan-2-ylbenzene
CID 59216916
1-bromo-2-(1-bromooctan-2-yl)benzene
CID 79454494
1-(2-bromophenyl)hexan-1-amine
CID 62604682
3-(2-bromophenyl)-3-cyanopropanoic acid
CID 82298706
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
(2R)-2-(4-chlorophenyl)decanenitrile
CID 125465892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)decanenitrile?
The IUPAC name of (2R)-2-(2-bromophenyl)decanenitrile (CID 125466877) is (2R)-2-(2-bromophenyl)decanenitrile.
What is the SMILES notation for (2R)-2-(2-bromophenyl)decanenitrile?
The canonical SMILES for (2R)-2-(2-bromophenyl)decanenitrile is CCCCCCCC[C@@H](C#N)c1ccccc1Br.
What is the InChIKey of (2R)-2-(2-bromophenyl)decanenitrile?
The InChIKey is QCTVAZSRHSBJFK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22BrN/c1-2-3-4-5-6-7-10-14(13-18)15-11-8-9-12-16(15)17/h8-9,11-12,14H,2-7,10H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(2-bromophenyl)decanenitrile?
(2R)-2-(2-bromophenyl)decanenitrile has a molecular weight of 308.26 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)decanenitrile is sourced from PubChem (CID 125466877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).