3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C12H19F2NO3 — CID 103209067

IUPAC3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCOCC(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H19F2NO3/c13-11(14)7-18-4-3-12(17)15-8-1-2-9(15)6-10(16)5-8/h8-11,16H,1-7H2
InChIKeySXJFSLOIHPKQBD-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.17
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 103209067) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID103209067
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCOCC(F)F)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H19F2NO3/c13-11(14)7-18-4-3-12(17)15-8-1-2-9(15)6-10(16)5-8/h8-11,16H,1-7H2
InChIKeySXJFSLOIHPKQBD-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(1S,3R,5R)-6,6-difluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 155046993
(1R,3R,5R)-6,6-difluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 155047688
1-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55076358
8-[3-(2,2,2-Trifluoroethoxy)propyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55234901
2,2,2-Trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763480
1-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 63763595
3,3,3-Trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63764338
2,2,2-Trifluoroethyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 63932703
4,4,4-Trifluoro-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 65711369
3-(2,2-Difluoroethoxy)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 103209046
1-[2-(2-Hydroxypropyl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103209226
3-(2,2-Difluoroethoxy)-1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 103209227

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 103209067) is 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is O=C(CCOCC(F)F)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is SXJFSLOIHPKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c13-11(14)7-18-4-3-12(17)15-8-1-2-9(15)6-10(16)5-8/h8-11,16H,1-7H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 263.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 103209067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).