4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine

C11H20F3NO2 — CID 59012982

IUPAC4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(2)10(11(12,13)14)17-8-5-15-3-6-16-7-4-15/h9-10H,3-8H2,1-2H3
InChIKeyGSEXUYLPCWHQIS-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.92
Rot. Bonds5

About 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine

4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine (PubChem CID 59012982) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine
PubChem CID59012982
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-9(2)10(11(12,13)14)17-8-5-15-3-6-16-7-4-15/h9-10H,3-8H2,1-2H3
InChIKeyGSEXUYLPCWHQIS-UHFFFAOYSA-N
XLogP1.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine (CID 59012982) is 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine is CC(C)C(OCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine?
The InChIKey is GSEXUYLPCWHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(2)10(11(12,13)14)17-8-5-15-3-6-16-7-4-15/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine?
4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine has a molecular weight of 255.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]morpholine is sourced from PubChem (CID 59012982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).