1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one

C15H18BrClFNO2 — CID 106761832

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(Br)c(Cl)c1F)N1CCOCC1
InChIInChI=1S/C15H18BrClFNO2/c1-3-15(2,19-6-8-21-9-7-19)14(20)10-4-5-11(16)12(17)13(10)18/h4-5H,3,6-9H2,1-2H3
InChIKeyYHXBAHHKNURPRH-UHFFFAOYSA-N
MW378.67 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one

1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one (PubChem CID 106761832) has the molecular formula C15H18BrClFNO2 and a molecular weight of 378.67 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
PubChem CID106761832
Molecular FormulaC15H18BrClFNO2
Molecular Weight378.67 g/mol
Exact Mass377.02
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)c1ccc(Br)c(Cl)c1F)N1CCOCC1
InChIInChI=1S/C15H18BrClFNO2/c1-3-15(2,19-6-8-21-9-7-19)14(20)10-4-5-11(16)12(17)13(10)18/h4-5H,3,6-9H2,1-2H3
InChIKeyYHXBAHHKNURPRH-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.67
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one (CID 106761832) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)c1ccc(Br)c(Cl)c1F)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
The InChIKey is YHXBAHHKNURPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFNO2/c1-3-15(2,19-6-8-21-9-7-19)14(20)10-4-5-11(16)12(17)13(10)18/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one has a molecular weight of 378.67 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 106761832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).