2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine

C22H28F3N — CID 135059677

IUPAC2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCCCCCCCCCCc1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C22H28F3N/c1-2-3-4-5-6-7-8-9-12-18-17-19(22(23,24)25)14-15-20(18)21-13-10-11-16-26-21/h10-11,13-17H,2-9,12H2,1H3
InChIKeyGHLNCKGIVMZENN-UHFFFAOYSA-N
MW363.47 g/mol
LogP7.45
Rot. Bonds10

About 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine

2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 135059677) has the molecular formula C22H28F3N and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine
PubChem CID135059677
Molecular FormulaC22H28F3N
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine
SMILESCCCCCCCCCCc1cc(C(F)(F)F)ccc1-c1ccccn1
InChIInChI=1S/C22H28F3N/c1-2-3-4-5-6-7-8-9-12-18-17-19(22(23,24)25)14-15-20(18)21-13-10-11-16-26-21/h10-11,13-17H,2-9,12H2,1H3
InChIKeyGHLNCKGIVMZENN-UHFFFAOYSA-N
XLogP7.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.47
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triprolidine
CID 5282443
(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Azatadine
CID 19861
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458

Frequently Asked Questions

What is the IUPAC name of 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine (CID 135059677) is 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine is CCCCCCCCCCc1cc(C(F)(F)F)ccc1-c1ccccn1.
What is the InChIKey of 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is GHLNCKGIVMZENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N/c1-2-3-4-5-6-7-8-9-12-18-17-19(22(23,24)25)14-15-20(18)21-13-10-11-16-26-21/h10-11,13-17H,2-9,12H2,1H3.
What are the key properties of 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine?
2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 363.47 g/mol, XLogP of 7.45, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-decyl-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 135059677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).