3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine

C18H20FNO2 — CID 70377302

IUPAC3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine
SMILESCC(C)C(c1ccc(F)cc1)C1(c2cccnc2)OCCO1
InChIInChI=1S/C18H20FNO2/c1-13(2)17(14-5-7-16(19)8-6-14)18(21-10-11-22-18)15-4-3-9-20-12-15/h3-9,12-13,17H,10-11H2,1-2H3
InChIKeyMIOSKROIINEFNY-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.86
Rot. Bonds4

About 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine

3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine (PubChem CID 70377302) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine.

Molecular Properties

Compound Name3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine
PubChem CID70377302
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine
SMILESCC(C)C(c1ccc(F)cc1)C1(c2cccnc2)OCCO1
InChIInChI=1S/C18H20FNO2/c1-13(2)17(14-5-7-16(19)8-6-14)18(21-10-11-22-18)15-4-3-9-20-12-15/h3-9,12-13,17H,10-11H2,1-2H3
InChIKeyMIOSKROIINEFNY-UHFFFAOYSA-N
XLogP3.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine?
The IUPAC name of 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine (CID 70377302) is 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine.
What is the SMILES notation for 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine?
The canonical SMILES for 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine is CC(C)C(c1ccc(F)cc1)C1(c2cccnc2)OCCO1.
What is the InChIKey of 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine?
The InChIKey is MIOSKROIINEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13(2)17(14-5-7-16(19)8-6-14)18(21-10-11-22-18)15-4-3-9-20-12-15/h3-9,12-13,17H,10-11H2,1-2H3.
What are the key properties of 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine?
3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine has a molecular weight of 301.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-dioxolan-2-yl]pyridine is sourced from PubChem (CID 70377302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).