methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate

C13H14FNO5 — CID 79882692

IUPACmethyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H14FNO5/c1-19-13(18)11-7-15(4-5-20-11)12(17)9-6-8(14)2-3-10(9)16/h2-3,6,11,16H,4-5,7H2,1H3
InChIKeyJEIRRMBNARUMJD-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.55
Rot. Bonds2

About methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate

methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate (PubChem CID 79882692) has the molecular formula C13H14FNO5 and a molecular weight of 283.25 g/mol. Its IUPAC name is methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate
PubChem CID79882692
Molecular FormulaC13H14FNO5
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Namemethyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C13H14FNO5/c1-19-13(18)11-7-15(4-5-20-11)12(17)9-6-8(14)2-3-10(9)16/h2-3,6,11,16H,4-5,7H2,1H3
InChIKeyJEIRRMBNARUMJD-UHFFFAOYSA-N
XLogP0.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate (CID 79882692) is methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2cc(F)ccc2O)CCO1.
What is the InChIKey of methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate?
The InChIKey is JEIRRMBNARUMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO5/c1-19-13(18)11-7-15(4-5-20-11)12(17)9-6-8(14)2-3-10(9)16/h2-3,6,11,16H,4-5,7H2,1H3.
What are the key properties of methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate?
methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate has a molecular weight of 283.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-2-hydroxybenzoyl)morpholine-2-carboxylate is sourced from PubChem (CID 79882692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).