3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene

C14H16FN — CID 150622709

IUPAC3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene
SMILESCC1C2C=C(c3ccc(F)cc3)CN1CC2
InChIInChI=1S/C14H16FN/c1-10-12-6-7-16(10)9-13(8-12)11-2-4-14(15)5-3-11/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyIWGCQOLTRGTZPB-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.93
Rot. Bonds1

About 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene

3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene (PubChem CID 150622709) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene
PubChem CID150622709
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene
SMILESCC1C2C=C(c3ccc(F)cc3)CN1CC2
InChIInChI=1S/C14H16FN/c1-10-12-6-7-16(10)9-13(8-12)11-2-4-14(15)5-3-11/h2-5,8,10,12H,6-7,9H2,1H3
InChIKeyIWGCQOLTRGTZPB-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene?
The IUPAC name of 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene (CID 150622709) is 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene.
What is the SMILES notation for 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene?
The canonical SMILES for 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene is CC1C2C=C(c3ccc(F)cc3)CN1CC2.
What is the InChIKey of 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene?
The InChIKey is IWGCQOLTRGTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-10-12-6-7-16(10)9-13(8-12)11-2-4-14(15)5-3-11/h2-5,8,10,12H,6-7,9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene?
3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene has a molecular weight of 217.29 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-methyl-1-azabicyclo[3.2.1]oct-3-ene is sourced from PubChem (CID 150622709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).