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

C11H18F6N2O — CID 160816878

IUPAC2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESFC(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C11H18F6N2O/c12-9(13)11(16,17)7-10(14,15)8-18-1-2-19-3-5-20-6-4-19/h9,18H,1-8H2
InChIKeyHTEVDNVGTURFFM-UHFFFAOYSA-N
MW308.27 g/mol
LogP1.83
Rot. Bonds8

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

2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine (PubChem CID 160816878) has the molecular formula C11H18F6N2O and a molecular weight of 308.27 g/mol. Its IUPAC name is 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
PubChem CID160816878
Molecular FormulaC11H18F6N2O
Molecular Weight308.27 g/mol
Exact Mass308.13
IUPAC Name2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
SMILESFC(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C11H18F6N2O/c12-9(13)11(16,17)7-10(14,15)8-18-1-2-19-3-5-20-6-4-19/h9,18H,1-8H2
InChIKeyHTEVDNVGTURFFM-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 51.83
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-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine 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 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The IUPAC name of 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine (CID 160816878) is 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine.
What is the SMILES notation for 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The canonical SMILES for 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine is FC(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1.
What is the InChIKey of 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
The InChIKey is HTEVDNVGTURFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O/c12-9(13)11(16,17)7-10(14,15)8-18-1-2-19-3-5-20-6-4-19/h9,18H,1-8H2.
What are the key properties of 2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine?
2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine has a molecular weight of 308.27 g/mol, XLogP of 1.83, 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-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine is sourced from PubChem (CID 160816878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).