2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid

C12H14FNO4 — CID 117108583

IUPAC2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C12H14FNO4/c13-8-1-2-9(11(15)12(16)17)10(7-8)14-3-5-18-6-4-14/h1-2,7,11,15H,3-6H2,(H,16,17)
InChIKeyVKGJHZWMWRAAON-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.78
Rot. Bonds3

About 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid

2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid (PubChem CID 117108583) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
PubChem CID117108583
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C12H14FNO4/c13-8-1-2-9(11(15)12(16)17)10(7-8)14-3-5-18-6-4-14/h1-2,7,11,15H,3-6H2,(H,16,17)
InChIKeyVKGJHZWMWRAAON-UHFFFAOYSA-N
XLogP0.78
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetate
CID 117108709
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
2-(5-fluoro-2-pyrrolidin-1-ylphenyl)-2-hydroxyacetic acid
CID 117350296
3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
CID 117107597
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 111824467
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
CID 66513297

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid (CID 117108583) is 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(F)cc1N1CCOCC1.
What is the InChIKey of 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid?
The InChIKey is VKGJHZWMWRAAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c13-8-1-2-9(11(15)12(16)17)10(7-8)14-3-5-18-6-4-14/h1-2,7,11,15H,3-6H2,(H,16,17).
What are the key properties of 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid?
2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid has a molecular weight of 255.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-morpholin-4-ylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117108583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).