ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate

C15H19BrFNO3 — CID 64528413

IUPACethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)CC(c1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C15H19BrFNO3/c1-2-21-15(19)10-14(18-5-7-20-8-6-18)11-3-4-13(17)12(16)9-11/h3-4,9,14H,2,5-8,10H2,1H3
InChIKeyYSVQDSRNJDLJNT-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.91
Rot. Bonds5

About ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate

ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate (PubChem CID 64528413) has the molecular formula C15H19BrFNO3 and a molecular weight of 360.22 g/mol. Its IUPAC name is ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate
PubChem CID64528413
Molecular FormulaC15H19BrFNO3
Molecular Weight360.22 g/mol
Exact Mass359.05
IUPAC Nameethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)CC(c1ccc(F)c(Br)c1)N1CCOCC1
InChIInChI=1S/C15H19BrFNO3/c1-2-21-15(19)10-14(18-5-7-20-8-6-18)11-3-4-13(17)12(16)9-11/h3-4,9,14H,2,5-8,10H2,1H3
InChIKeyYSVQDSRNJDLJNT-UHFFFAOYSA-N
XLogP2.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-bromo-3-methylphenyl)-3-morpholin-4-ylpropanoate
CID 66481310
3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528121
3-(3-bromo-4-methylphenyl)-3-morpholin-4-ylpropanoic acid
CID 105403444
3-(4-bromo-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 81440796
ethyl 3-(3-bromo-4-fluorophenyl)-3-(dimethylamino)propanoate
CID 64541807
ethyl 4-amino-4-(3-bromo-4-fluorophenyl)butanoate
CID 79735551
ethyl 3-[3-(difluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanoate
CID 115529432
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
ethyl 3-(2-bromo-5-chlorophenyl)-3-piperidin-1-ylpropanoate
CID 66157879
ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
CID 83095163
4-(4-methylphenyl)-4-morpholin-4-ylbutan-2-one
CID 82130931

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate?
The IUPAC name of ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate (CID 64528413) is ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate is CCOC(=O)CC(c1ccc(F)c(Br)c1)N1CCOCC1.
What is the InChIKey of ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate?
The InChIKey is YSVQDSRNJDLJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO3/c1-2-21-15(19)10-14(18-5-7-20-8-6-18)11-3-4-13(17)12(16)9-11/h3-4,9,14H,2,5-8,10H2,1H3.
What are the key properties of ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate?
ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate has a molecular weight of 360.22 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 64528413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).