2-morpholin-4-ylethyl 2-bromoacetate

C8H14BrNO3 — CID 118035535

IUPAC2-morpholin-4-ylethyl 2-bromoacetate
SMILESO=C(CBr)OCCN1CCOCC1
InChIInChI=1S/C8H14BrNO3/c9-7-8(11)13-6-3-10-1-4-12-5-2-10/h1-7H2
InChIKeyPMCYFRLLQFKRGX-UHFFFAOYSA-N
MW252.11 g/mol
LogP0.26
Rot. Bonds4

About 2-morpholin-4-ylethyl 2-bromoacetate

2-morpholin-4-ylethyl 2-bromoacetate (PubChem CID 118035535) has the molecular formula C8H14BrNO3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-bromoacetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-bromoacetate
PubChem CID118035535
Molecular FormulaC8H14BrNO3
Molecular Weight252.11 g/mol
Exact Mass251.02
IUPAC Name2-morpholin-4-ylethyl 2-bromoacetate
SMILESO=C(CBr)OCCN1CCOCC1
InChIInChI=1S/C8H14BrNO3/c9-7-8(11)13-6-3-10-1-4-12-5-2-10/h1-7H2
InChIKeyPMCYFRLLQFKRGX-UHFFFAOYSA-N
XLogP0.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate
CID 166930136
2-morpholin-4-ylethyl but-3-enoate
CID 163582404
2-[16-[2-(4,4-dimethylpentanoyloxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl 4,4-dimethylpentanoate
CID 102070429
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl octanoate
CID 23118480
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate
CID 3053872
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-morpholin-4-ylethyl (Z)-hept-5-enoate
CID 143867024

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-bromoacetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-bromoacetate (CID 118035535) is 2-morpholin-4-ylethyl 2-bromoacetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-bromoacetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-bromoacetate is O=C(CBr)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-bromoacetate?
The InChIKey is PMCYFRLLQFKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO3/c9-7-8(11)13-6-3-10-1-4-12-5-2-10/h1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 2-bromoacetate?
2-morpholin-4-ylethyl 2-bromoacetate has a molecular weight of 252.11 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-bromoacetate is sourced from PubChem (CID 118035535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).