2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde

C15H18FNO2 — CID 91443925

IUPAC2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde
SMILESO=CCN1C2CCC1CC(Oc1ccc(F)cc1)C2
InChIInChI=1S/C15H18FNO2/c16-11-1-5-14(6-2-11)19-15-9-12-3-4-13(10-15)17(12)7-8-18/h1-2,5-6,8,12-13,15H,3-4,7,9-10H2
InChIKeyMWJBZSRIAMSQQN-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.40
Rot. Bonds4

About 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde

2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde (PubChem CID 91443925) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde
PubChem CID91443925
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde
SMILESO=CCN1C2CCC1CC(Oc1ccc(F)cc1)C2
InChIInChI=1S/C15H18FNO2/c16-11-1-5-14(6-2-11)19-15-9-12-3-4-13(10-15)17(12)7-8-18/h1-2,5-6,8,12-13,15H,3-4,7,9-10H2
InChIKeyMWJBZSRIAMSQQN-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde?
The IUPAC name of 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde (CID 91443925) is 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde?
The canonical SMILES for 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde is O=CCN1C2CCC1CC(Oc1ccc(F)cc1)C2.
What is the InChIKey of 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde?
The InChIKey is MWJBZSRIAMSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-11-1-5-14(6-2-11)19-15-9-12-3-4-13(10-15)17(12)7-8-18/h1-2,5-6,8,12-13,15H,3-4,7,9-10H2.
What are the key properties of 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde?
2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde has a molecular weight of 263.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]acetaldehyde is sourced from PubChem (CID 91443925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).