(9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde

C16H20FNO — CID 73332874

IUPAC(9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde
SMILESO=C[C@@H]1Cc2cc(F)ccc2N2CCCCCC[C@@H]12
InChIInChI=1S/C16H20FNO/c17-14-6-7-16-12(10-14)9-13(11-19)15-5-3-1-2-4-8-18(15)16/h6-7,10-11,13,15H,1-5,8-9H2/t13-,15-/m0/s1
InChIKeyOCMODYBXRBAURI-ZFWWWQNUSA-N
MW261.34 g/mol
LogP3.34
Rot. Bonds1

About (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde

(9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde (PubChem CID 73332874) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde.

Molecular Properties

Compound Name(9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde
PubChem CID73332874
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde
SMILESO=C[C@@H]1Cc2cc(F)ccc2N2CCCCCC[C@@H]12
InChIInChI=1S/C16H20FNO/c17-14-6-7-16-12(10-14)9-13(11-19)15-5-3-1-2-4-8-18(15)16/h6-7,10-11,13,15H,1-5,8-9H2/t13-,15-/m0/s1
InChIKeyOCMODYBXRBAURI-ZFWWWQNUSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde?
The IUPAC name of (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde (CID 73332874) is (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde.
What is the SMILES notation for (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde?
The canonical SMILES for (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde is O=C[C@@H]1Cc2cc(F)ccc2N2CCCCCC[C@@H]12.
What is the InChIKey of (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde?
The InChIKey is OCMODYBXRBAURI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H20FNO/c17-14-6-7-16-12(10-14)9-13(11-19)15-5-3-1-2-4-8-18(15)16/h6-7,10-11,13,15H,1-5,8-9H2/t13-,15-/m0/s1.
What are the key properties of (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde?
(9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde has a molecular weight of 261.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10S)-5-fluoro-1-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5-triene-9-carbaldehyde is sourced from PubChem (CID 73332874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).