(6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one

C12H14FNO3 — CID 68910687

IUPAC(6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one
SMILESC[C@H]1CN(Cc2ccc(F)cc2)C(=O)C(O)O1
InChIInChI=1S/C12H14FNO3/c1-8-6-14(11(15)12(16)17-8)7-9-2-4-10(13)5-3-9/h2-5,8,12,16H,6-7H2,1H3/t8-,12?/m0/s1
InChIKeyDUKSHYKYYGTQEB-KBPLZSHQSA-N
MW239.25 g/mol
LogP0.89
Rot. Bonds2

About (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one

(6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one (PubChem CID 68910687) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one.

Molecular Properties

Compound Name(6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one
PubChem CID68910687
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one
SMILESC[C@H]1CN(Cc2ccc(F)cc2)C(=O)C(O)O1
InChIInChI=1S/C12H14FNO3/c1-8-6-14(11(15)12(16)17-8)7-9-2-4-10(13)5-3-9/h2-5,8,12,16H,6-7H2,1H3/t8-,12?/m0/s1
InChIKeyDUKSHYKYYGTQEB-KBPLZSHQSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one?
The IUPAC name of (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one (CID 68910687) is (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one.
What is the SMILES notation for (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one?
The canonical SMILES for (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one is C[C@H]1CN(Cc2ccc(F)cc2)C(=O)C(O)O1.
What is the InChIKey of (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one?
The InChIKey is DUKSHYKYYGTQEB-KBPLZSHQSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-8-6-14(11(15)12(16)17-8)7-9-2-4-10(13)5-3-9/h2-5,8,12,16H,6-7H2,1H3/t8-,12?/m0/s1.
What are the key properties of (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one?
(6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one has a molecular weight of 239.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one is sourced from PubChem (CID 68910687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).