1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

C18H18FN — CID 56999853

IUPAC1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2CC=CC1(c1ccc3ccc(F)cc3c1)CC2
InChIInChI=1S/C18H18FN/c1-20-17-3-2-9-18(20,10-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h2,4-7,9,11-12,17H,3,8,10H2,1H3
InChIKeyMMNDTWYZODEQAN-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.23
Rot. Bonds1

About 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene

1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 56999853) has the molecular formula C18H18FN and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID56999853
Molecular FormulaC18H18FN
Molecular Weight267.35 g/mol
Exact Mass267.14
IUPAC Name1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
SMILESCN1C2CC=CC1(c1ccc3ccc(F)cc3c1)CC2
InChIInChI=1S/C18H18FN/c1-20-17-3-2-9-18(20,10-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h2,4-7,9,11-12,17H,3,8,10H2,1H3
InChIKeyMMNDTWYZODEQAN-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene (CID 56999853) is 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is CN1C2CC=CC1(c1ccc3ccc(F)cc3c1)CC2.
What is the InChIKey of 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is MMNDTWYZODEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN/c1-20-17-3-2-9-18(20,10-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h2,4-7,9,11-12,17H,3,8,10H2,1H3.
What are the key properties of 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene?
1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 267.35 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoronaphthalen-2-yl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 56999853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).