5-(3,4-difluorophenyl)morpholin-3-one

C10H9F2NO2 — CID 18623221

IUPAC5-(3,4-difluorophenyl)morpholin-3-one
SMILESO=C1COCC(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C10H9F2NO2/c11-7-2-1-6(3-8(7)12)9-4-15-5-10(14)13-9/h1-3,9H,4-5H2,(H,13,14)
InChIKeyBFQIFUJDDOBUHG-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.15
Rot. Bonds1

About 5-(3,4-difluorophenyl)morpholin-3-one

5-(3,4-difluorophenyl)morpholin-3-one (PubChem CID 18623221) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)morpholin-3-one
PubChem CID18623221
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name5-(3,4-difluorophenyl)morpholin-3-one
SMILESO=C1COCC(c2ccc(F)c(F)c2)N1
InChIInChI=1S/C10H9F2NO2/c11-7-2-1-6(3-8(7)12)9-4-15-5-10(14)13-9/h1-3,9H,4-5H2,(H,13,14)
InChIKeyBFQIFUJDDOBUHG-UHFFFAOYSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)morpholin-3-one?
The IUPAC name of 5-(3,4-difluorophenyl)morpholin-3-one (CID 18623221) is 5-(3,4-difluorophenyl)morpholin-3-one.
What is the SMILES notation for 5-(3,4-difluorophenyl)morpholin-3-one?
The canonical SMILES for 5-(3,4-difluorophenyl)morpholin-3-one is O=C1COCC(c2ccc(F)c(F)c2)N1.
What is the InChIKey of 5-(3,4-difluorophenyl)morpholin-3-one?
The InChIKey is BFQIFUJDDOBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-7-2-1-6(3-8(7)12)9-4-15-5-10(14)13-9/h1-3,9H,4-5H2,(H,13,14).
What are the key properties of 5-(3,4-difluorophenyl)morpholin-3-one?
5-(3,4-difluorophenyl)morpholin-3-one has a molecular weight of 213.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)morpholin-3-one is sourced from PubChem (CID 18623221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).