5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine

C30H41F2NO — CID 67968523

IUPAC5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine
SMILESCCCCCC1CCC(C2CCC(c3ccc(-c4ccc(CCC)c(F)c4F)cn3)OC2)CC1
InChIInChI=1S/C30H41F2NO/c1-3-5-6-8-21-9-11-22(12-10-21)25-15-18-28(34-20-25)27-17-14-24(19-33-27)26-16-13-23(7-4-2)29(31)30(26)32/h13-14,16-17,19,21-22,25,28H,3-12,15,18,20H2,1-2H3
InChIKeyQUXPHCWGAVPFHA-UHFFFAOYSA-N
MW469.66 g/mol
LogP8.83
Rot. Bonds9

About 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine

5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine (PubChem CID 67968523) has the molecular formula C30H41F2NO and a molecular weight of 469.66 g/mol. Its IUPAC name is 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine.

Molecular Properties

Compound Name5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine
PubChem CID67968523
Molecular FormulaC30H41F2NO
Molecular Weight469.66 g/mol
Exact Mass469.32
IUPAC Name5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine
SMILESCCCCCC1CCC(C2CCC(c3ccc(-c4ccc(CCC)c(F)c4F)cn3)OC2)CC1
InChIInChI=1S/C30H41F2NO/c1-3-5-6-8-21-9-11-22(12-10-21)25-15-18-28(34-20-25)27-17-14-24(19-33-27)26-16-13-23(7-4-2)29(31)30(26)32/h13-14,16-17,19,21-22,25,28H,3-12,15,18,20H2,1-2H3
InChIKeyQUXPHCWGAVPFHA-UHFFFAOYSA-N
XLogP8.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.66
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine?
The IUPAC name of 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine (CID 67968523) is 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine.
What is the SMILES notation for 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine?
The canonical SMILES for 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine is CCCCCC1CCC(C2CCC(c3ccc(-c4ccc(CCC)c(F)c4F)cn3)OC2)CC1.
What is the InChIKey of 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine?
The InChIKey is QUXPHCWGAVPFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F2NO/c1-3-5-6-8-21-9-11-22(12-10-21)25-15-18-28(34-20-25)27-17-14-24(19-33-27)26-16-13-23(7-4-2)29(31)30(26)32/h13-14,16-17,19,21-22,25,28H,3-12,15,18,20H2,1-2H3.
What are the key properties of 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine?
5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine has a molecular weight of 469.66 g/mol, XLogP of 8.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-4-propylphenyl)-2-[5-(4-pentylcyclohexyl)oxan-2-yl]pyridine is sourced from PubChem (CID 67968523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).