[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone

C12H12BrClFNO2 — CID 81211544

IUPAC[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCOC(CBr)C1
InChIInChI=1S/C12H12BrClFNO2/c13-6-9-7-16(3-4-18-9)12(17)10-2-1-8(15)5-11(10)14/h1-2,5,9H,3-4,6-7H2
InChIKeyDACOSPCYPSCPQR-UHFFFAOYSA-N
MW336.59 g/mol
LogP2.71
Rot. Bonds2

About [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone

[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone (PubChem CID 81211544) has the molecular formula C12H12BrClFNO2 and a molecular weight of 336.59 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
PubChem CID81211544
Molecular FormulaC12H12BrClFNO2
Molecular Weight336.59 g/mol
Exact Mass334.97
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCOC(CBr)C1
InChIInChI=1S/C12H12BrClFNO2/c13-6-9-7-16(3-4-18-9)12(17)10-2-1-8(15)5-11(10)14/h1-2,5,9H,3-4,6-7H2
InChIKeyDACOSPCYPSCPQR-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.59
LogP ≤ 52.71
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)morpholin-4-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771247
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(bromomethyl)morpholin-4-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 81211072
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443645
[2-(bromomethyl)morpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81209568
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone (CID 81211544) is [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone is O=C(c1ccc(F)cc1Cl)N1CCOC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone?
The InChIKey is DACOSPCYPSCPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFNO2/c13-6-9-7-16(3-4-18-9)12(17)10-2-1-8(15)5-11(10)14/h1-2,5,9H,3-4,6-7H2.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone?
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone has a molecular weight of 336.59 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone is sourced from PubChem (CID 81211544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).