(2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone

C7H12FNO3 — CID 162417173

IUPAC(2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone
SMILESCO[C@@H]([18F])C(=O)N1CCOCC1
InChIInChI=1S/C7H12FNO3/c1-11-6(8)7(10)9-2-4-12-5-3-9/h6H,2-5H2,1H3/t6-/m1/s1/i8-1
InChIKeyKDKDUOHJSSBGSS-QSVFLLOFSA-N
MW176.18 g/mol
LogP-0.21
Rot. Bonds2

About (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone

(2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone (PubChem CID 162417173) has the molecular formula C7H12FNO3 and a molecular weight of 176.18 g/mol. Its IUPAC name is (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone
PubChem CID162417173
Molecular FormulaC7H12FNO3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name(2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone
SMILESCO[C@@H]([18F])C(=O)N1CCOCC1
InChIInChI=1S/C7H12FNO3/c1-11-6(8)7(10)9-2-4-12-5-3-9/h6H,2-5H2,1H3/t6-/m1/s1/i8-1
InChIKeyKDKDUOHJSSBGSS-QSVFLLOFSA-N
XLogP-0.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone 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

4-Acetylmorpholine
CID 15543
4-(Trifluoroacetyl)morpholine
CID 544636
4-(2-Hydroxyethyl)morpholin-3-one
CID 15287400
4-Methylmorpholin-3-one
CID 11007867
3,5-Morpholinedione, 4-methyl-
CID 93687
Methoxyacetic acid, morpholide
CID 532078
Morpholine-4-carbonyl fluoride
CID 12592126
Piperazine,1-(ethoxyacetyl)-4-ethyl-
CID 2947957
N,N-Diethyl-2-methoxyacetamide
CID 19165524
Acetoxyacetic acid, morpholide
CID 531940
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
N-ethylmorpholinone
CID 12766108

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone?
The IUPAC name of (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone (CID 162417173) is (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone.
What is the SMILES notation for (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone?
The canonical SMILES for (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone is CO[C@@H]([18F])C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone?
The InChIKey is KDKDUOHJSSBGSS-QSVFLLOFSA-N. The full InChI is InChI=1S/C7H12FNO3/c1-11-6(8)7(10)9-2-4-12-5-3-9/h6H,2-5H2,1H3/t6-/m1/s1/i8-1.
What are the key properties of (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone?
(2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone has a molecular weight of 176.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(18F)fluoro-2-methoxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 162417173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).