7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine

C13H16FNO2 — CID 123691288

IUPAC7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine
SMILESCN1CCC2(c3cccc(F)c3)OCOC2C1
InChIInChI=1S/C13H16FNO2/c1-15-6-5-13(12(8-15)16-9-17-13)10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyCASPTTWSTRYDPI-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.73
Rot. Bonds1

About 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine

7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine (PubChem CID 123691288) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine.

Molecular Properties

Compound Name7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine
PubChem CID123691288
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine
SMILESCN1CCC2(c3cccc(F)c3)OCOC2C1
InChIInChI=1S/C13H16FNO2/c1-15-6-5-13(12(8-15)16-9-17-13)10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8-9H2,1H3
InChIKeyCASPTTWSTRYDPI-UHFFFAOYSA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]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 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
The IUPAC name of 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine (CID 123691288) is 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine.
What is the SMILES notation for 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
The canonical SMILES for 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine is CN1CCC2(c3cccc(F)c3)OCOC2C1.
What is the InChIKey of 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
The InChIKey is CASPTTWSTRYDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-6-5-13(12(8-15)16-9-17-13)10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8-9H2,1H3.
What are the key properties of 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine?
7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine has a molecular weight of 237.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(3-fluorophenyl)-5-methyl-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyridine is sourced from PubChem (CID 123691288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).