5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one

C11H9BrF3NO2 — CID 66665410

IUPAC5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one
SMILESO=C1COCC(c2cccc(Br)c2)(C(F)(F)F)N1
InChIInChI=1S/C11H9BrF3NO2/c12-8-3-1-2-7(4-8)10(11(13,14)15)6-18-5-9(17)16-10/h1-4H,5-6H2,(H,16,17)
InChIKeyMGFARGPRDSETDN-UHFFFAOYSA-N
MW324.10 g/mol
LogP2.35
Rot. Bonds1

About 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one

5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one (PubChem CID 66665410) has the molecular formula C11H9BrF3NO2 and a molecular weight of 324.10 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one
PubChem CID66665410
Molecular FormulaC11H9BrF3NO2
Molecular Weight324.10 g/mol
Exact Mass322.98
IUPAC Name5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one
SMILESO=C1COCC(c2cccc(Br)c2)(C(F)(F)F)N1
InChIInChI=1S/C11H9BrF3NO2/c12-8-3-1-2-7(4-8)10(11(13,14)15)6-18-5-9(17)16-10/h1-4H,5-6H2,(H,16,17)
InChIKeyMGFARGPRDSETDN-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one?
The IUPAC name of 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one (CID 66665410) is 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one is O=C1COCC(c2cccc(Br)c2)(C(F)(F)F)N1.
What is the InChIKey of 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one?
The InChIKey is MGFARGPRDSETDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3NO2/c12-8-3-1-2-7(4-8)10(11(13,14)15)6-18-5-9(17)16-10/h1-4H,5-6H2,(H,16,17).
What are the key properties of 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one?
5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one has a molecular weight of 324.10 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 66665410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).