(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol

C12H16FNO2 — CID 134848052

IUPAC(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol
SMILESCN1CCO[C@](C)(O)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-12(15)11(14(2)7-8-16-12)9-3-5-10(13)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyOPLRHDDSFZTMGG-RYUDHWBXSA-N
MW225.26 g/mol
LogP1.54
Rot. Bonds1

About (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol

(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol (PubChem CID 134848052) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol
PubChem CID134848052
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol
SMILESCN1CCO[C@](C)(O)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO2/c1-12(15)11(14(2)7-8-16-12)9-3-5-10(13)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyOPLRHDDSFZTMGG-RYUDHWBXSA-N
XLogP1.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 202166
8-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118746817
Aprepitant Impurity 81
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1-(1-Phenyl-2-oxyethyl)-1,2,5,6-tetrahydropyridine
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(4-Fluoro-phenyl)-morpholin-4-yl-acetic acid
CID 16243960

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol?
The IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol (CID 134848052) is (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol is CN1CCO[C@](C)(O)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol?
The InChIKey is OPLRHDDSFZTMGG-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(15)11(14(2)7-8-16-12)9-3-5-10(13)6-4-9/h3-6,11,15H,7-8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol?
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol has a molecular weight of 225.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholin-2-ol is sourced from PubChem (CID 134848052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).