(2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one

C10H18FNO3 — CID 167847655

IUPAC(2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CCOC(CF)C1
InChIInChI=1S/C10H18FNO3/c1-7(2)9(13)10(14)12-3-4-15-8(5-11)6-12/h7-9,13H,3-6H2,1-2H3/t8?,9-/m0/s1
InChIKeySDYFRKHETZZTQT-GKAPJAKFSA-N
MW219.26 g/mol
LogP0.20
Rot. Bonds3

About (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one

(2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one (PubChem CID 167847655) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one
PubChem CID167847655
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name(2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CCOC(CF)C1
InChIInChI=1S/C10H18FNO3/c1-7(2)9(13)10(14)12-3-4-15-8(5-11)6-12/h7-9,13H,3-6H2,1-2H3/t8?,9-/m0/s1
InChIKeySDYFRKHETZZTQT-GKAPJAKFSA-N
XLogP0.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one (CID 167847655) is (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one is CC(C)[C@H](O)C(=O)N1CCOC(CF)C1.
What is the InChIKey of (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one?
The InChIKey is SDYFRKHETZZTQT-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-7(2)9(13)10(14)12-3-4-15-8(5-11)6-12/h7-9,13H,3-6H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one?
(2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one has a molecular weight of 219.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(fluoromethyl)morpholin-4-yl]-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 167847655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).