1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one

C15H19BrFNO2 — CID 79045725

IUPAC1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cc(Br)ccc1F)N1CCOCC1
InChIInChI=1S/C15H19BrFNO2/c1-15(2,18-5-7-20-8-6-18)14(19)10-11-9-12(16)3-4-13(11)17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCFCXXONJAVDSGB-UHFFFAOYSA-N
MW344.22 g/mol
LogP2.81
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one

1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one (PubChem CID 79045725) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
PubChem CID79045725
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cc(Br)ccc1F)N1CCOCC1
InChIInChI=1S/C15H19BrFNO2/c1-15(2,18-5-7-20-8-6-18)14(19)10-11-9-12(16)3-4-13(11)17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCFCXXONJAVDSGB-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045436
1-(5-bromo-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 79060051
1-(5-chloro-2-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79052318
1-(5-bromo-2-fluorophenyl)-3-tert-butylsulfanylpropan-2-one
CID 65133139
1-(3-bromothiophen-2-yl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045801
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)-3-methylpentan-2-one
CID 79063310
4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317
1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057613
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
1-(2-bromo-4-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599131
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one (CID 79045725) is 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one is CC(C)(C(=O)Cc1cc(Br)ccc1F)N1CCOCC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
The InChIKey is CFCXXONJAVDSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-15(2,18-5-7-20-8-6-18)14(19)10-11-9-12(16)3-4-13(11)17/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one?
1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one has a molecular weight of 344.22 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one is sourced from PubChem (CID 79045725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).