1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one

C10H15F2NO2 — CID 121307895

IUPAC1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CC2COCC(N2)C1(F)F
InChIInChI=1S/C10H15F2NO2/c1-6(14)2-7-3-8-4-15-5-9(13-8)10(7,11)12/h7-9,13H,2-5H2,1H3/t7-,8?,9?/m1/s1
InChIKeyGXDWHCTVGWQXOB-AFPNSQJFSA-N
MW219.23 g/mol
LogP0.98
Rot. Bonds2

About 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one

1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one (PubChem CID 121307895) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one.

Molecular Properties

Compound Name1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one
PubChem CID121307895
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CC2COCC(N2)C1(F)F
InChIInChI=1S/C10H15F2NO2/c1-6(14)2-7-3-8-4-15-5-9(13-8)10(7,11)12/h7-9,13H,2-5H2,1H3/t7-,8?,9?/m1/s1
InChIKeyGXDWHCTVGWQXOB-AFPNSQJFSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one 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 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one?
The IUPAC name of 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one (CID 121307895) is 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one.
What is the SMILES notation for 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one?
The canonical SMILES for 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one is CC(=O)C[C@@H]1CC2COCC(N2)C1(F)F.
What is the InChIKey of 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one?
The InChIKey is GXDWHCTVGWQXOB-AFPNSQJFSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-6(14)2-7-3-8-4-15-5-9(13-8)10(7,11)12/h7-9,13H,2-5H2,1H3/t7-,8?,9?/m1/s1.
What are the key properties of 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one?
1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one has a molecular weight of 219.23 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-6,6-difluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]propan-2-one is sourced from PubChem (CID 121307895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).