2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine

C14H21F9N2O — CID 159783185

IUPAC2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine
SMILESFC(F)(F)CCC(F)(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C14H21F9N2O/c15-11(16,10-24-3-4-25-5-7-26-8-6-25)9-13(19,20)12(17,18)1-2-14(21,22)23/h24H,1-10H2
InChIKeyVWXZWFSKKVTHAA-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.55
Rot. Bonds10

About 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine

2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine (PubChem CID 159783185) has the molecular formula C14H21F9N2O and a molecular weight of 404.32 g/mol. Its IUPAC name is 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine.

Molecular Properties

Compound Name2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine
PubChem CID159783185
Molecular FormulaC14H21F9N2O
Molecular Weight404.32 g/mol
Exact Mass404.15
IUPAC Name2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine
SMILESFC(F)(F)CCC(F)(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C14H21F9N2O/c15-11(16,10-24-3-4-25-5-7-26-8-6-25)9-13(19,20)12(17,18)1-2-14(21,22)23/h24H,1-10H2
InChIKeyVWXZWFSKKVTHAA-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.55
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 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine?
The IUPAC name of 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine (CID 159783185) is 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine.
What is the SMILES notation for 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine?
The canonical SMILES for 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine is FC(F)(F)CCC(F)(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1.
What is the InChIKey of 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine?
The InChIKey is VWXZWFSKKVTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F9N2O/c15-11(16,10-24-3-4-25-5-7-26-8-6-25)9-13(19,20)12(17,18)1-2-14(21,22)23/h24H,1-10H2.
What are the key properties of 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine?
2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine has a molecular weight of 404.32 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine is sourced from PubChem (CID 159783185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).