2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine

C15H21F11N2O — CID 159783186

IUPAC2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine
SMILESFC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F11N2O/c16-11(17,10-27-3-4-28-5-7-29-8-6-28)9-14(22,23)12(18,19)1-2-13(20,21)15(24,25)26/h27H,1-10H2
InChIKeyLNSHGVHIUHBJJV-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.18
Rot. Bonds11

About 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine

2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine (PubChem CID 159783186) has the molecular formula C15H21F11N2O and a molecular weight of 454.32 g/mol. Its IUPAC name is 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine.

Molecular Properties

Compound Name2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine
PubChem CID159783186
Molecular FormulaC15H21F11N2O
Molecular Weight454.32 g/mol
Exact Mass454.15
IUPAC Name2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine
SMILESFC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F11N2O/c16-11(17,10-27-3-4-28-5-7-29-8-6-28)9-14(22,23)12(18,19)1-2-13(20,21)15(24,25)26/h27H,1-10H2
InChIKeyLNSHGVHIUHBJJV-UHFFFAOYSA-N
XLogP4.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.18
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'}

Analyze 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine with MolForge

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Related Compounds

2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 29005203
2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 159783180
2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 159783181
2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 159783182
2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
CID 159783183
2,2,4,4,5,5,7,7,7-nonafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine
CID 159783184
2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine
CID 159783185
2,2,4,4,5,5,8,8,10,10,10-undecafluoro-N-(2-morpholin-4-ylethyl)decan-1-amine
CID 159783187
2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 160816878
4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
CID 160816879
N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine
CID 160816880
2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine
CID 160816881

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine?
The IUPAC name of 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine (CID 159783186) is 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine.
What is the SMILES notation for 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine?
The canonical SMILES for 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine is FC(F)(CNCCN1CCOCC1)CC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine?
The InChIKey is LNSHGVHIUHBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F11N2O/c16-11(17,10-27-3-4-28-5-7-29-8-6-28)9-14(22,23)12(18,19)1-2-13(20,21)15(24,25)26/h27H,1-10H2.
What are the key properties of 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine?
2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine has a molecular weight of 454.32 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine is sourced from PubChem (CID 159783186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).