4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one

C11H12FNO3 — CID 67112404

IUPAC4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1cccc(CO)c1F
InChIInChI=1S/C11H12FNO3/c12-11-8(6-14)2-1-3-9(11)13-4-5-16-7-10(13)15/h1-3,14H,4-7H2
InChIKeyMOCTUCAAGZEWOH-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.68
Rot. Bonds2

About 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one

4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one (PubChem CID 67112404) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one
PubChem CID67112404
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1cccc(CO)c1F
InChIInChI=1S/C11H12FNO3/c12-11-8(6-14)2-1-3-9(11)13-4-5-16-7-10(13)15/h1-3,14H,4-7H2
InChIKeyMOCTUCAAGZEWOH-UHFFFAOYSA-N
XLogP0.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
The IUPAC name of 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one (CID 67112404) is 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
The canonical SMILES for 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one is O=C1COCCN1c1cccc(CO)c1F.
What is the InChIKey of 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
The InChIKey is MOCTUCAAGZEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-11-8(6-14)2-1-3-9(11)13-4-5-16-7-10(13)15/h1-3,14H,4-7H2.
What are the key properties of 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one has a molecular weight of 225.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(hydroxymethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 67112404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).