(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

C13H19FNO3+ — CID 2330413

IUPAC(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1F)C[NH+]1CCOCC1
InChIInChI=1S/C13H18FNO3/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2/p+1/t11-/m0/s1
InChIKeyYGGKUSQBICCIDE-NSHDSACASA-O
MW256.30 g/mol
LogP-0.52
Rot. Bonds5

About (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol

(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 2330413) has the molecular formula C13H19FNO3+ and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID2330413
Molecular FormulaC13H19FNO3+
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1F)C[NH+]1CCOCC1
InChIInChI=1S/C13H18FNO3/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2/p+1/t11-/m0/s1
InChIKeyYGGKUSQBICCIDE-NSHDSACASA-O
XLogP-0.52
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-bromophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7371555
1-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]phenyl]ethanone
CID 7187819
(2S)-1-morpholin-4-ium-4-yl-3-(2-nitrophenoxy)propan-2-ol
CID 7378153
(2S)-1-(2,6-dimethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7542734
1-(2-fluorophenoxy)-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol
CID 4601663
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
CID 45496401
2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
1-morpholin-4-ium-4-yl-3-phenylmethoxypropan-2-ol chloride
CID 44657221
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
(2R)-1-(2-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 6959952

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol (CID 2330413) is (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is O[C@H](COc1ccccc1F)C[NH+]1CCOCC1.
What is the InChIKey of (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is YGGKUSQBICCIDE-NSHDSACASA-O. The full InChI is InChI=1S/C13H18FNO3/c14-12-3-1-2-4-13(12)18-10-11(16)9-15-5-7-17-8-6-15/h1-4,11,16H,5-10H2/p+1/t11-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol?
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 256.30 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 2330413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).