5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine

C20H24F3NO2 — CID 19039040

IUPAC5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OC(F)F)c(F)c2)cn1
InChIInChI=1S/C20H24F3NO2/c1-2-3-4-5-6-7-12-25-19-11-9-16(14-24-19)15-8-10-18(17(21)13-15)26-20(22)23/h8-11,13-14,20H,2-7,12H2,1H3
InChIKeyOHWVUUHCFPYHGP-UHFFFAOYSA-N
MW367.41 g/mol
LogP6.23
Rot. Bonds11

About 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine

5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine (PubChem CID 19039040) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine
PubChem CID19039040
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OC(F)F)c(F)c2)cn1
InChIInChI=1S/C20H24F3NO2/c1-2-3-4-5-6-7-12-25-19-11-9-16(14-24-19)15-8-10-18(17(21)13-15)26-20(22)23/h8-11,13-14,20H,2-7,12H2,1H3
InChIKeyOHWVUUHCFPYHGP-UHFFFAOYSA-N
XLogP6.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine?
The IUPAC name of 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine (CID 19039040) is 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine?
The canonical SMILES for 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine is CCCCCCCCOc1ccc(-c2ccc(OC(F)F)c(F)c2)cn1.
What is the InChIKey of 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine?
The InChIKey is OHWVUUHCFPYHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-2-3-4-5-6-7-12-25-19-11-9-16(14-24-19)15-8-10-18(17(21)13-15)26-20(22)23/h8-11,13-14,20H,2-7,12H2,1H3.
What are the key properties of 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine?
5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine has a molecular weight of 367.41 g/mol, XLogP of 6.23, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-3-fluorophenyl]-2-octoxypyridine is sourced from PubChem (CID 19039040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).