4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine

C13H20F7NO2 — CID 59012961

IUPAC4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H20F7NO2/c1-9(2)10(11(14,15)12(16,17)13(18,19)20)23-8-5-21-3-6-22-7-4-21/h9-10H,3-8H2,1-2H3
InChIKeyHEGIZJPLXSVBKX-UHFFFAOYSA-N
MW355.29 g/mol
LogP3.19
Rot. Bonds7

About 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine

4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine (PubChem CID 59012961) has the molecular formula C13H20F7NO2 and a molecular weight of 355.29 g/mol. Its IUPAC name is 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine
PubChem CID59012961
Molecular FormulaC13H20F7NO2
Molecular Weight355.29 g/mol
Exact Mass355.14
IUPAC Name4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine
SMILESCC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H20F7NO2/c1-9(2)10(11(14,15)12(16,17)13(18,19)20)23-8-5-21-3-6-22-7-4-21/h9-10H,3-8H2,1-2H3
InChIKeyHEGIZJPLXSVBKX-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]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-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine (CID 59012961) is 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine is CC(C)C(OCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine?
The InChIKey is HEGIZJPLXSVBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F7NO2/c1-9(2)10(11(14,15)12(16,17)13(18,19)20)23-8-5-21-3-6-22-7-4-21/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine?
4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine has a molecular weight of 355.29 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 59012961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).