[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone

C13H15BrFNO2 — CID 81211917

IUPAC[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone
SMILESCC1COC(CBr)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15BrFNO2/c1-9-8-18-12(6-14)7-16(9)13(17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKeyAQJLSEPNIACMNX-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.45
Rot. Bonds2

About [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone

[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 81211917) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone
PubChem CID81211917
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone
SMILESCC1COC(CBr)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15BrFNO2/c1-9-8-18-12(6-14)7-16(9)13(17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKeyAQJLSEPNIACMNX-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-propan-2-yloxyphenyl)methanone
CID 81213808
(5-bromo-2-fluorophenyl)-[2-(bromomethyl)-5-methylmorpholin-4-yl]methanone
CID 81211578
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691054
(4-fluorophenyl)-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369460
(3-bromo-4-fluorophenyl)-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97250594
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 81212234
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(3-bromo-2-methylphenyl)methanone
CID 81211499
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311
[4-(difluoromethoxy)phenyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81198572
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 81214136
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81212071
(3-bromo-5-fluorophenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81211638

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone (CID 81211917) is [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone is CC1COC(CBr)CN1C(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is AQJLSEPNIACMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-9-8-18-12(6-14)7-16(9)13(17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone?
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 316.17 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-5-methylmorpholin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 81211917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).