2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride

C8H12ClF2NO2 — CID 164662259

IUPAC2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride
SMILESCC1CN(C(=O)Cl)CC(C)(C(F)F)O1
InChIInChI=1S/C8H12ClF2NO2/c1-5-3-12(7(9)13)4-8(2,14-5)6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyKFGQRGVLCMFHCG-UHFFFAOYSA-N
MW227.64 g/mol
LogP2.09
Rot. Bonds1

About 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride

2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride (PubChem CID 164662259) has the molecular formula C8H12ClF2NO2 and a molecular weight of 227.64 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride
PubChem CID164662259
Molecular FormulaC8H12ClF2NO2
Molecular Weight227.64 g/mol
Exact Mass227.05
IUPAC Name2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride
SMILESCC1CN(C(=O)Cl)CC(C)(C(F)F)O1
InChIInChI=1S/C8H12ClF2NO2/c1-5-3-12(7(9)13)4-8(2,14-5)6(10)11/h5-6H,3-4H2,1-2H3
InChIKeyKFGQRGVLCMFHCG-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride (CID 164662259) is 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride is CC1CN(C(=O)Cl)CC(C)(C(F)F)O1.
What is the InChIKey of 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride?
The InChIKey is KFGQRGVLCMFHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2NO2/c1-5-3-12(7(9)13)4-8(2,14-5)6(10)11/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride?
2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride has a molecular weight of 227.64 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,6-dimethylmorpholine-4-carbonyl chloride is sourced from PubChem (CID 164662259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).