(2R)-2-(4-chlorophenyl)decanenitrile

C16H22ClN — CID 125465892

IUPAC(2R)-2-(4-chlorophenyl)decanenitrile
SMILESCCCCCCCC[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN/c1-2-3-4-5-6-7-8-15(13-18)14-9-11-16(17)12-10-14/h9-12,15H,2-8H2,1H3/t15-/m0/s1
InChIKeyHBRGJNIYFXBBTO-HNNXBMFYSA-N
MW263.81 g/mol
LogP5.70
Rot. Bonds8

About (2R)-2-(4-chlorophenyl)decanenitrile

(2R)-2-(4-chlorophenyl)decanenitrile (PubChem CID 125465892) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)decanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)decanenitrile
PubChem CID125465892
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name(2R)-2-(4-chlorophenyl)decanenitrile
SMILESCCCCCCCC[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN/c1-2-3-4-5-6-7-8-15(13-18)14-9-11-16(17)12-10-14/h9-12,15H,2-8H2,1H3/t15-/m0/s1
InChIKeyHBRGJNIYFXBBTO-HNNXBMFYSA-N
XLogP5.70
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.81
LogP ≤ 55.70
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

2-(4-chlorophenyl)-4-(diethylamino)butanenitrile
CID 12550813
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-chloro-4-(1-chlorooctyl)benzene
CID 63429176
2-(4-tert-butylphenyl)hexanenitrile
CID 164597888
2-(4-chlorophenyl)-6-(2,6-dimethylmorpholin-4-yl)decanenitrile
CID 19738042
1-(4-chlorophenyl)heptane-1-thiol
CID 173233874
1-(1-bromoheptyl)-4-chlorobenzene
CID 114753552
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
CID 15778521

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)decanenitrile?
The IUPAC name of (2R)-2-(4-chlorophenyl)decanenitrile (CID 125465892) is (2R)-2-(4-chlorophenyl)decanenitrile.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)decanenitrile?
The canonical SMILES for (2R)-2-(4-chlorophenyl)decanenitrile is CCCCCCCC[C@@H](C#N)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)decanenitrile?
The InChIKey is HBRGJNIYFXBBTO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22ClN/c1-2-3-4-5-6-7-8-15(13-18)14-9-11-16(17)12-10-14/h9-12,15H,2-8H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)decanenitrile?
(2R)-2-(4-chlorophenyl)decanenitrile has a molecular weight of 263.81 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)decanenitrile is sourced from PubChem (CID 125465892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).