4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine

C11H21F2NO2 — CID 58044574

IUPAC4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine
SMILESCC(C)(C)C(F)(F)OCCN1CCOCC1
InChIInChI=1S/C11H21F2NO2/c1-10(2,3)11(12,13)16-9-6-14-4-7-15-8-5-14/h4-9H2,1-3H3
InChIKeyHVEREXJOLMHWTE-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.97
Rot. Bonds4

About 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine

4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine (PubChem CID 58044574) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine
PubChem CID58044574
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine
SMILESCC(C)(C)C(F)(F)OCCN1CCOCC1
InChIInChI=1S/C11H21F2NO2/c1-10(2,3)11(12,13)16-9-6-14-4-7-15-8-5-14/h4-9H2,1-3H3
InChIKeyHVEREXJOLMHWTE-UHFFFAOYSA-N
XLogP1.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine (CID 58044574) is 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine is CC(C)(C)C(F)(F)OCCN1CCOCC1.
What is the InChIKey of 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine?
The InChIKey is HVEREXJOLMHWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-10(2,3)11(12,13)16-9-6-14-4-7-15-8-5-14/h4-9H2,1-3H3.
What are the key properties of 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine?
4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine has a molecular weight of 237.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-difluoro-2,2-dimethylpropoxy)ethyl]morpholine is sourced from PubChem (CID 58044574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).