(1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

C20H22FN — CID 25018533

IUPAC(1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESFc1cccc(CN2C[C@@H]3CC[C@@H]2Cc2ccccc2C3)c1
InChIInChI=1S/C20H22FN/c21-19-7-3-4-15(11-19)13-22-14-16-8-9-20(22)12-18-6-2-1-5-17(18)10-16/h1-7,11,16,20H,8-10,12-14H2/t16-,20-/m1/s1
InChIKeyBORGZYJYGOQCGQ-OXQOHEQNSA-N
MW295.40 g/mol
LogP4.21
Rot. Bonds2

About (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

(1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 25018533) has the molecular formula C20H22FN and a molecular weight of 295.40 g/mol. Its IUPAC name is (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name(1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID25018533
Molecular FormulaC20H22FN
Molecular Weight295.40 g/mol
Exact Mass295.17
IUPAC Name(1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESFc1cccc(CN2C[C@@H]3CC[C@@H]2Cc2ccccc2C3)c1
InChIInChI=1S/C20H22FN/c21-19-7-3-4-15(11-19)13-22-14-16-8-9-20(22)12-18-6-2-1-5-17(18)10-16/h1-7,11,16,20H,8-10,12-14H2/t16-,20-/m1/s1
InChIKeyBORGZYJYGOQCGQ-OXQOHEQNSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 25018533) is (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is Fc1cccc(CN2C[C@@H]3CC[C@@H]2Cc2ccccc2C3)c1.
What is the InChIKey of (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is BORGZYJYGOQCGQ-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H22FN/c21-19-7-3-4-15(11-19)13-22-14-16-8-9-20(22)12-18-6-2-1-5-17(18)10-16/h1-7,11,16,20H,8-10,12-14H2/t16-,20-/m1/s1.
What are the key properties of (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
(1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 295.40 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-11-[(3-fluorophenyl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 25018533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).