methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate

C12H14FNO3 — CID 67353366

IUPACmethyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H14FNO3/c1-16-12(15)14-6-7-17-11(8-14)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyJZQYKOKLGYLTDQ-LLVKDONJSA-N
MW239.25 g/mol
LogP1.97
Rot. Bonds1

About methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate

methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate (PubChem CID 67353366) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
PubChem CID67353366
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
SMILESCOC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C12H14FNO3/c1-16-12(15)14-6-7-17-11(8-14)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyJZQYKOKLGYLTDQ-LLVKDONJSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132
1-chloroethenyl (2R)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 174559553
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
[2-(4-fluorophenyl)morpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120615830
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
2-(4-fluorophenyl)-1-[2-(4-methoxyphenyl)morpholin-4-yl]ethanone
CID 110327189
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
methyl 3-(dimethylamino)-4-[[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]amino]benzoate
CID 100618515

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The IUPAC name of methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate (CID 67353366) is methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate.
What is the SMILES notation for methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The canonical SMILES for methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate is COC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate?
The InChIKey is JZQYKOKLGYLTDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-16-12(15)14-6-7-17-11(8-14)9-2-4-10(13)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate?
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate is sourced from PubChem (CID 67353366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).