4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine

C7H11F4NO2 — CID 18725575

IUPAC4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine
SMILESCOC(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C7H11F4NO2/c1-13-7(10,11)6(8,9)12-2-4-14-5-3-12/h2-5H2,1H3
InChIKeyQGNXBCJTUMHDLL-UHFFFAOYSA-N
MW217.16 g/mol
LogP1.15
Rot. Bonds3

About 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine

4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine (PubChem CID 18725575) has the molecular formula C7H11F4NO2 and a molecular weight of 217.16 g/mol. Its IUPAC name is 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine.

Molecular Properties

Compound Name4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine
PubChem CID18725575
Molecular FormulaC7H11F4NO2
Molecular Weight217.16 g/mol
Exact Mass217.07
IUPAC Name4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine
SMILESCOC(F)(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C7H11F4NO2/c1-13-7(10,11)6(8,9)12-2-4-14-5-3-12/h2-5H2,1H3
InChIKeyQGNXBCJTUMHDLL-UHFFFAOYSA-N
XLogP1.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine?
The IUPAC name of 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine (CID 18725575) is 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine.
What is the SMILES notation for 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine?
The canonical SMILES for 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine is COC(F)(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine?
The InChIKey is QGNXBCJTUMHDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO2/c1-13-7(10,11)6(8,9)12-2-4-14-5-3-12/h2-5H2,1H3.
What are the key properties of 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine?
4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine has a molecular weight of 217.16 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2-tetrafluoro-2-methoxyethyl)morpholine is sourced from PubChem (CID 18725575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).