3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane

C20H21F2NO — CID 10042207

IUPAC3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
InChIKeyZBKITZYQNFJNIF-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.35
Rot. Bonds4

About 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane

3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 10042207) has the molecular formula C20H21F2NO and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
PubChem CID10042207
Molecular FormulaC20H21F2NO
Molecular Weight329.39 g/mol
Exact Mass329.16
IUPAC Name3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
InChIKeyZBKITZYQNFJNIF-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane (CID 10042207) is 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane is Fc1ccc(C(OC2CC3CCC(C2)N3)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is ZBKITZYQNFJNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2.
What are the key properties of 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane?
3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 329.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10042207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).