(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone

C12H15Br2NO3 — CID 114781615

IUPAC(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)o2)CC(CBr)O1
InChIInChI=1S/C12H15Br2NO3/c1-12(2)7-15(6-8(5-13)18-12)11(16)9-3-4-10(14)17-9/h3-4,8H,5-7H2,1-2H3
InChIKeyQFBGIYBNMKQATC-UHFFFAOYSA-N
MW381.06 g/mol
LogP3.06
Rot. Bonds2

About (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone

(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114781615) has the molecular formula C12H15Br2NO3 and a molecular weight of 381.06 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114781615
Molecular FormulaC12H15Br2NO3
Molecular Weight381.06 g/mol
Exact Mass378.94
IUPAC Name(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(Br)o2)CC(CBr)O1
InChIInChI=1S/C12H15Br2NO3/c1-12(2)7-15(6-8(5-13)18-12)11(16)9-3-4-10(14)17-9/h3-4,8H,5-7H2,1-2H3
InChIKeyQFBGIYBNMKQATC-UHFFFAOYSA-N
XLogP3.06
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-chlorophenyl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781649
(3-bromo-4-fluorophenyl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 107956876
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 114781637
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122961
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-ethylthiophen-2-yl)methanone
CID 114781702
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 114781494
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone
CID 114781680
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114781585
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(2-chloro-3-methylphenyl)methanone
CID 114781714
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114781415
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 114781472

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114781615) is (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2ccc(Br)o2)CC(CBr)O1.
What is the InChIKey of (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is QFBGIYBNMKQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO3/c1-12(2)7-15(6-8(5-13)18-12)11(16)9-3-4-10(14)17-9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 381.06 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114781615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).