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

C11H10BrF2NO2 — CID 66665407

IUPAC5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one
SMILESO=C1COCC(c2cccc(Br)c2)(C(F)F)N1
InChIInChI=1S/C11H10BrF2NO2/c12-8-3-1-2-7(4-8)11(10(13)14)6-17-5-9(16)15-11/h1-4,10H,5-6H2,(H,15,16)
InChIKeyDWMTZLLDXIUXAX-UHFFFAOYSA-N
MW306.11 g/mol
LogP2.06
Rot. Bonds2

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

5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one (PubChem CID 66665407) has the molecular formula C11H10BrF2NO2 and a molecular weight of 306.11 g/mol. Its IUPAC name is 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one
PubChem CID66665407
Molecular FormulaC11H10BrF2NO2
Molecular Weight306.11 g/mol
Exact Mass304.99
IUPAC Name5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one
SMILESO=C1COCC(c2cccc(Br)c2)(C(F)F)N1
InChIInChI=1S/C11H10BrF2NO2/c12-8-3-1-2-7(4-8)11(10(13)14)6-17-5-9(16)15-11/h1-4,10H,5-6H2,(H,15,16)
InChIKeyDWMTZLLDXIUXAX-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 52.06
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-(difluoromethyl)morpholin-3-one?
The IUPAC name of 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one (CID 66665407) is 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one.
What is the SMILES notation for 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one?
The canonical SMILES for 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one is O=C1COCC(c2cccc(Br)c2)(C(F)F)N1.
What is the InChIKey of 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one?
The InChIKey is DWMTZLLDXIUXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO2/c12-8-3-1-2-7(4-8)11(10(13)14)6-17-5-9(16)15-11/h1-4,10H,5-6H2,(H,15,16).
What are the key properties of 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one?
5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one has a molecular weight of 306.11 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-5-(difluoromethyl)morpholin-3-one is sourced from PubChem (CID 66665407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).