3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine

C18H20FNO2 — CID 74969271

IUPAC3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine
SMILESFc1ccc(C2CCC(OCCCc3cccnc3)O2)cc1
InChIInChI=1S/C18H20FNO2/c19-16-7-5-15(6-8-16)17-9-10-18(22-17)21-12-2-4-14-3-1-11-20-13-14/h1,3,5-8,11,13,17-18H,2,4,9-10,12H2
InChIKeyJGZAPNNTDFCIHI-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.05
Rot. Bonds6

About 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine

3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine (PubChem CID 74969271) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine.

Molecular Properties

Compound Name3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine
PubChem CID74969271
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine
SMILESFc1ccc(C2CCC(OCCCc3cccnc3)O2)cc1
InChIInChI=1S/C18H20FNO2/c19-16-7-5-15(6-8-16)17-9-10-18(22-17)21-12-2-4-14-3-1-11-20-13-14/h1,3,5-8,11,13,17-18H,2,4,9-10,12H2
InChIKeyJGZAPNNTDFCIHI-UHFFFAOYSA-N
XLogP4.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.05
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 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine?
The IUPAC name of 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine (CID 74969271) is 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine.
What is the SMILES notation for 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine?
The canonical SMILES for 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine is Fc1ccc(C2CCC(OCCCc3cccnc3)O2)cc1.
What is the InChIKey of 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine?
The InChIKey is JGZAPNNTDFCIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-16-7-5-15(6-8-16)17-9-10-18(22-17)21-12-2-4-14-3-1-11-20-13-14/h1,3,5-8,11,13,17-18H,2,4,9-10,12H2.
What are the key properties of 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine?
3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine has a molecular weight of 301.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(4-fluorophenyl)oxolan-2-yl]oxypropyl]pyridine is sourced from PubChem (CID 74969271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).