(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

C11H13Cl2NO3 — CID 106690235

IUPAC(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)o2)CC(CCl)O1
InChIInChI=1S/C11H13Cl2NO3/c1-7-5-14(6-8(4-12)16-7)11(15)9-2-3-10(13)17-9/h2-3,7-8H,4-6H2,1H3
InChIKeyQDQHLIDSPXFUIO-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.40
Rot. Bonds2

About (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone

(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 106690235) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID106690235
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)o2)CC(CCl)O1
InChIInChI=1S/C11H13Cl2NO3/c1-7-5-14(6-8(4-12)16-7)11(15)9-2-3-10(13)17-9/h2-3,7-8H,4-6H2,1H3
InChIKeyQDQHLIDSPXFUIO-UHFFFAOYSA-N
XLogP2.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]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

(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
(3-bromo-5-chlorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 107941509
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
(5-chlorofuran-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 103725307
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102937402
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 102937454
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978663
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937282

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone (CID 106690235) is (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2ccc(Cl)o2)CC(CCl)O1.
What is the InChIKey of (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is QDQHLIDSPXFUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-7-5-14(6-8(4-12)16-7)11(15)9-2-3-10(13)17-9/h2-3,7-8H,4-6H2,1H3.
What are the key properties of (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone?
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 278.13 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 106690235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).