8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene

C20H20FN — CID 171973239

IUPAC8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFc1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C20H20FN/c21-18-8-4-7-16(11-18)17-12-19-9-10-20(13-17)22(19)14-15-5-2-1-3-6-15/h1-8,11-12,19-20H,9-10,13-14H2
InChIKeyPVQMDPIRDINMTI-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.65
Rot. Bonds3

About 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene

8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 171973239) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID171973239
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESFc1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1
InChIInChI=1S/C20H20FN/c21-18-8-4-7-16(11-18)17-12-19-9-10-20(13-17)22(19)14-15-5-2-1-3-6-15/h1-8,11-12,19-20H,9-10,13-14H2
InChIKeyPVQMDPIRDINMTI-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]methanol
CID 171972827
8-benzyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 67175391
3-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 67101284
5-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-2-fluorobenzonitrile
CID 171971806
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649
8-benzyl-3-(3-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene;iodoform
CID 123525033
[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
CID 171971550
8-benzyl-3-(2-chloro-4-pyridinyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171973277
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-dibenzofuran-2-yl-8-azabicyclo[3.2.1]oct-2-ene
CID 171968586
8-benzyl-3-(4-methoxy-3,5-dimethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971011
6-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)quinoline
CID 171970824

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene (CID 171973239) is 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene is Fc1cccc(C2=CC3CCC(C2)N3Cc2ccccc2)c1.
What is the InChIKey of 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is PVQMDPIRDINMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/c21-18-8-4-7-16(11-18)17-12-19-9-10-20(13-17)22(19)14-15-5-2-1-3-6-15/h1-8,11-12,19-20H,9-10,13-14H2.
What are the key properties of 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene?
8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 293.39 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(3-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 171973239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).