2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine

C12H17F9N2O — CID 159783183

IUPAC2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
SMILESFC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9N2O/c13-9(14,7-10(15,16)11(17,18)12(19,20)21)8-22-1-2-23-3-5-24-6-4-23/h22H,1-8H2
InChIKeyQYSZCROPNLZKCL-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.77
Rot. Bonds8

About 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine

2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine (PubChem CID 159783183) has the molecular formula C12H17F9N2O and a molecular weight of 376.26 g/mol. Its IUPAC name is 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine.

Molecular Properties

Compound Name2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
PubChem CID159783183
Molecular FormulaC12H17F9N2O
Molecular Weight376.26 g/mol
Exact Mass376.12
IUPAC Name2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
SMILESFC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F9N2O/c13-9(14,7-10(15,16)11(17,18)12(19,20)21)8-22-1-2-23-3-5-24-6-4-23/h22H,1-8H2
InChIKeyQYSZCROPNLZKCL-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.77
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 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
The IUPAC name of 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine (CID 159783183) is 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine.
What is the SMILES notation for 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
The canonical SMILES for 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine is FC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
The InChIKey is QYSZCROPNLZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F9N2O/c13-9(14,7-10(15,16)11(17,18)12(19,20)21)8-22-1-2-23-3-5-24-6-4-23/h22H,1-8H2.
What are the key properties of 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine?
2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine has a molecular weight of 376.26 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine is sourced from PubChem (CID 159783183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).