3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene

C15H14FNO — CID 114244217

IUPAC3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFc1cccc2cc(C3=CC4CCC(C3)N4)oc12
InChIInChI=1S/C15H14FNO/c16-13-3-1-2-9-8-14(18-15(9)13)10-6-11-4-5-12(7-10)17-11/h1-3,6,8,11-12,17H,4-5,7H2
InChIKeyNMHURSRGRDFUEU-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.48
Rot. Bonds1

About 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene

3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 114244217) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID114244217
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFc1cccc2cc(C3=CC4CCC(C3)N4)oc12
InChIInChI=1S/C15H14FNO/c16-13-3-1-2-9-8-14(18-15(9)13)10-6-11-4-5-12(7-10)17-11/h1-3,6,8,11-12,17H,4-5,7H2
InChIKeyNMHURSRGRDFUEU-UHFFFAOYSA-N
XLogP3.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
CID 92980020
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
CID 114733135
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
CID 114731967
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106521910
2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
CID 107663435
3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
CID 106521879
1-[2-(7-fluoro-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 114731986
5-(7-fluoro-1-benzofuran-2-yl)-1H-indazole
CID 166359737
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114727065
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-amine
CID 114733255

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene (CID 114244217) is 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene is Fc1cccc2cc(C3=CC4CCC(C3)N4)oc12.
What is the InChIKey of 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is NMHURSRGRDFUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-13-3-1-2-9-8-14(18-15(9)13)10-6-11-4-5-12(7-10)17-11/h1-3,6,8,11-12,17H,4-5,7H2.
What are the key properties of 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene?
3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 243.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzofuran-2-yl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 114244217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).