(2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid

C11H13FN2O4 — CID 69091991

IUPAC(2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid
SMILESO=C(O)N(c1ccc(O)cc1F)N1CCOCC1
InChIInChI=1S/C11H13FN2O4/c12-9-7-8(15)1-2-10(9)14(11(16)17)13-3-5-18-6-4-13/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyGMQAHMZROJXFLA-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.26
Rot. Bonds2

About (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid

(2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid (PubChem CID 69091991) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid.

Molecular Properties

Compound Name(2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid
PubChem CID69091991
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name(2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid
SMILESO=C(O)N(c1ccc(O)cc1F)N1CCOCC1
InChIInChI=1S/C11H13FN2O4/c12-9-7-8(15)1-2-10(9)14(11(16)17)13-3-5-18-6-4-13/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyGMQAHMZROJXFLA-UHFFFAOYSA-N
XLogP1.26
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid?
The IUPAC name of (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid (CID 69091991) is (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid.
What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid?
The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid is O=C(O)N(c1ccc(O)cc1F)N1CCOCC1.
What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid?
The InChIKey is GMQAHMZROJXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c12-9-7-8(15)1-2-10(9)14(11(16)17)13-3-5-18-6-4-13/h1-2,7,15H,3-6H2,(H,16,17).
What are the key properties of (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid?
(2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid has a molecular weight of 256.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-hydroxyphenyl)-morpholin-4-ylcarbamic acid is sourced from PubChem (CID 69091991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).