[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone

C13H15ClFNO3 — CID 81211064

IUPAC[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCOC(CCl)C1
InChIInChI=1S/C13H15ClFNO3/c1-18-11-4-2-3-10(15)12(11)13(17)16-5-6-19-9(7-14)8-16/h2-4,9H,5-8H2,1H3
InChIKeyZARYRXFXXHZCLJ-UHFFFAOYSA-N
MW287.72 g/mol
LogP1.91
Rot. Bonds3

About [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone

[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 81211064) has the molecular formula C13H15ClFNO3 and a molecular weight of 287.72 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID81211064
Molecular FormulaC13H15ClFNO3
Molecular Weight287.72 g/mol
Exact Mass287.07
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1CCOC(CCl)C1
InChIInChI=1S/C13H15ClFNO3/c1-18-11-4-2-3-10(15)12(11)13(17)16-5-6-19-9(7-14)8-16/h2-4,9H,5-8H2,1H3
InChIKeyZARYRXFXXHZCLJ-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211316
(2-fluoro-6-methoxyphenyl)-morpholin-4-ylmethanone
CID 65432492
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 102938283
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
[(3S)-3-aminopyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119934296
(3-aminopyrrolidin-1-yl)-(2-fluoro-6-methoxyphenyl)methanone;hydrochloride
CID 119482707
[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104784771
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone (CID 81211064) is [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is ZARYRXFXXHZCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3/c1-18-11-4-2-3-10(15)12(11)13(17)16-5-6-19-9(7-14)8-16/h2-4,9H,5-8H2,1H3.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 287.72 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 81211064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).