1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one

C10H15ClF3NO2 — CID 102937571

IUPAC1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one
SMILESCC1CN(C(=O)CCC(F)(F)F)CC(CCl)O1
InChIInChI=1S/C10H15ClF3NO2/c1-7-5-15(6-8(4-11)17-7)9(16)2-3-10(12,13)14/h7-8H,2-6H2,1H3
InChIKeyNQCUSWRVXNIQCA-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.18
Rot. Bonds3

About 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one

1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 102937571) has the molecular formula C10H15ClF3NO2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one
PubChem CID102937571
Molecular FormulaC10H15ClF3NO2
Molecular Weight273.68 g/mol
Exact Mass273.07
IUPAC Name1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one
SMILESCC1CN(C(=O)CCC(F)(F)F)CC(CCl)O1
InChIInChI=1S/C10H15ClF3NO2/c1-7-5-15(6-8(4-11)17-7)9(16)2-3-10(12,13)14/h7-8H,2-6H2,1H3
InChIKeyNQCUSWRVXNIQCA-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one 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

1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102937469
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 79410280
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 102937629
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937329
3-amino-1-(2-ethyl-6-methylmorpholin-4-yl)propan-1-one
CID 119304810
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-thiophen-2-ylethanone
CID 102937552

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one (CID 102937571) is 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one is CC1CN(C(=O)CCC(F)(F)F)CC(CCl)O1.
What is the InChIKey of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is NQCUSWRVXNIQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO2/c1-7-5-15(6-8(4-11)17-7)9(16)2-3-10(12,13)14/h7-8H,2-6H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one?
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 273.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 102937571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).