2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine

C11H17F7N2O — CID 159783182

IUPAC2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESFC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F7N2O/c12-9(13,7-10(14,15)11(16,17)18)8-19-1-2-20-3-5-21-6-4-20/h19H,1-8H2
InChIKeyCQKUDQFOVAOSCO-UHFFFAOYSA-N
MW326.26 g/mol
LogP2.13
Rot. Bonds7

About 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine

2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine (PubChem CID 159783182) has the molecular formula C11H17F7N2O and a molecular weight of 326.26 g/mol. Its IUPAC name is 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
PubChem CID159783182
Molecular FormulaC11H17F7N2O
Molecular Weight326.26 g/mol
Exact Mass326.12
IUPAC Name2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESFC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F7N2O/c12-9(13,7-10(14,15)11(16,17)18)8-19-1-2-20-3-5-21-6-4-20/h19H,1-8H2
InChIKeyCQKUDQFOVAOSCO-UHFFFAOYSA-N
XLogP2.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The IUPAC name of 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine (CID 159783182) is 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine.
What is the SMILES notation for 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The canonical SMILES for 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine is FC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The InChIKey is CQKUDQFOVAOSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7N2O/c12-9(13,7-10(14,15)11(16,17)18)8-19-1-2-20-3-5-21-6-4-20/h19H,1-8H2.
What are the key properties of 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine has a molecular weight of 326.26 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine is sourced from PubChem (CID 159783182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).