2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride

C7H9ClF3NO2 — CID 165491288

IUPAC2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride
SMILESCC1(C(F)(F)F)CN(C(=O)Cl)CCO1
InChIInChI=1S/C7H9ClF3NO2/c1-6(7(9,10)11)4-12(5(8)13)2-3-14-6/h2-4H2,1H3
InChIKeyZYAXACQPTTVULK-UHFFFAOYSA-N
MW231.60 g/mol
LogP2.00
Rot. Bonds

About 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride

2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride (PubChem CID 165491288) has the molecular formula C7H9ClF3NO2 and a molecular weight of 231.60 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride
PubChem CID165491288
Molecular FormulaC7H9ClF3NO2
Molecular Weight231.60 g/mol
Exact Mass231.03
IUPAC Name2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride
SMILESCC1(C(F)(F)F)CN(C(=O)Cl)CCO1
InChIInChI=1S/C7H9ClF3NO2/c1-6(7(9,10)11)4-12(5(8)13)2-3-14-6/h2-4H2,1H3
InChIKeyZYAXACQPTTVULK-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.60
LogP ≤ 52.00
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-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride?
The IUPAC name of 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride (CID 165491288) is 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride is CC1(C(F)(F)F)CN(C(=O)Cl)CCO1.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride?
The InChIKey is ZYAXACQPTTVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3NO2/c1-6(7(9,10)11)4-12(5(8)13)2-3-14-6/h2-4H2,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride?
2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride has a molecular weight of 231.60 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)morpholine-4-carbonyl chloride is sourced from PubChem (CID 165491288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).