4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one

C11H11F2NO3 — CID 66765543

IUPAC4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CO)c1F
InChIInChI=1S/C11H11F2NO3/c12-8-3-7(5-15)11(13)9(4-8)14-1-2-17-6-10(14)16/h3-4,15H,1-2,5-6H2
InChIKeyNGAPNLAMKFGIAQ-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.82
Rot. Bonds2

About 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one

4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one (PubChem CID 66765543) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one
PubChem CID66765543
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one
SMILESO=C1COCCN1c1cc(F)cc(CO)c1F
InChIInChI=1S/C11H11F2NO3/c12-8-3-7(5-15)11(13)9(4-8)14-1-2-17-6-10(14)16/h3-4,15H,1-2,5-6H2
InChIKeyNGAPNLAMKFGIAQ-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
The IUPAC name of 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one (CID 66765543) is 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
The canonical SMILES for 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one is O=C1COCCN1c1cc(F)cc(CO)c1F.
What is the InChIKey of 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
The InChIKey is NGAPNLAMKFGIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c12-8-3-7(5-15)11(13)9(4-8)14-1-2-17-6-10(14)16/h3-4,15H,1-2,5-6H2.
What are the key properties of 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one?
4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one has a molecular weight of 243.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-difluoro-3-(hydroxymethyl)phenyl]morpholin-3-one is sourced from PubChem (CID 66765543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).