2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

C13H15BrFNO2 — CID 107904527

IUPAC2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESCC(Br)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H15BrFNO2/c1-9(14)13(17)16-6-7-18-12(8-16)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKeyBPRXJBMSQKABQO-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.51
Rot. Bonds2

About 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (PubChem CID 107904527) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
PubChem CID107904527
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESCC(Br)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C13H15BrFNO2/c1-9(14)13(17)16-6-7-18-12(8-16)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3
InChIKeyBPRXJBMSQKABQO-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-imidazol-1-ylpropan-1-one
CID 56815461
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 71934061
(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94021616
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 42949362
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (CID 107904527) is 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is CC(Br)C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is BPRXJBMSQKABQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-9(14)13(17)16-6-7-18-12(8-16)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8H2,1H3.
What are the key properties of 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 316.17 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 107904527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).