4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one

C14H18FNO3 — CID 68907519

IUPAC4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one
SMILESC[C@@H](c1ccc(F)cc1)N1CC(C)(C)OC(O)C1=O
InChIInChI=1S/C14H18FNO3/c1-9(10-4-6-11(15)7-5-10)16-8-14(2,3)19-13(18)12(16)17/h4-7,9,13,18H,8H2,1-3H3/t9-,13?/m0/s1
InChIKeyCRJTXMOVZKGSCL-LLTODGECSA-N
MW267.30 g/mol
LogP1.84
Rot. Bonds2

About 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one

4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one (PubChem CID 68907519) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one.

Molecular Properties

Compound Name4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one
PubChem CID68907519
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one
SMILESC[C@@H](c1ccc(F)cc1)N1CC(C)(C)OC(O)C1=O
InChIInChI=1S/C14H18FNO3/c1-9(10-4-6-11(15)7-5-10)16-8-14(2,3)19-13(18)12(16)17/h4-7,9,13,18H,8H2,1-3H3/t9-,13?/m0/s1
InChIKeyCRJTXMOVZKGSCL-LLTODGECSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-2-hydroxymorpholin-3-one
CID 9942497
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
US10927128, Example 69
CID 135374765
US10927128, Example 99
CID 135374962
Lactol trifluoroacetate
CID 11243600
(5S)-4-Benzyl-5-(2-hydroxyethyl)-2-methylmorpholin-3-one
CID 117822476
N-allyl-N-(4-fluorobenzyl)-2-isopropoxyacetamide
CID 50969657
4-[(4-Fluorophenyl)methyl]-3-morpholinone
CID 18933419
1-[4-[(4-Fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-hydroxyethanone
CID 21973533
1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-hydroxy-ethanone
CID 23405838
N-[(3-fluorophenyl)methyl]-N-methyl-2-propan-2-yloxyacetamide
CID 48134656
3-(3,4-Difluorophenyl)-2,2-dimethyl-5-oxomorpholine-4-carboxylic acid
CID 57029562

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
The IUPAC name of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one (CID 68907519) is 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one.
What is the SMILES notation for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
The canonical SMILES for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one is C[C@@H](c1ccc(F)cc1)N1CC(C)(C)OC(O)C1=O.
What is the InChIKey of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
The InChIKey is CRJTXMOVZKGSCL-LLTODGECSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(10-4-6-11(15)7-5-10)16-8-14(2,3)19-13(18)12(16)17/h4-7,9,13,18H,8H2,1-3H3/t9-,13?/m0/s1.
What are the key properties of 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one?
4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one has a molecular weight of 267.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one is sourced from PubChem (CID 68907519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).