2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine

C13H20F8N2O — CID 160816881

IUPAC2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine
SMILESFC(F)CC(F)(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C13H20F8N2O/c14-10(15)7-12(18,19)13(20,21)8-11(16,17)9-22-1-2-23-3-5-24-6-4-23/h10,22H,1-9H2
InChIKeyGGECMFVQRFUFNJ-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.86
Rot. Bonds10

About 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine

2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine (PubChem CID 160816881) has the molecular formula C13H20F8N2O and a molecular weight of 372.30 g/mol. Its IUPAC name is 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine.

Molecular Properties

Compound Name2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine
PubChem CID160816881
Molecular FormulaC13H20F8N2O
Molecular Weight372.30 g/mol
Exact Mass372.14
IUPAC Name2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine
SMILESFC(F)CC(F)(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C13H20F8N2O/c14-10(15)7-12(18,19)13(20,21)8-11(16,17)9-22-1-2-23-3-5-24-6-4-23/h10,22H,1-9H2
InChIKeyGGECMFVQRFUFNJ-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.86
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 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-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 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine?
The IUPAC name of 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine (CID 160816881) is 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine.
What is the SMILES notation for 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine?
The canonical SMILES for 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine is FC(F)CC(F)(F)C(F)(F)CC(F)(F)CNCCN1CCOCC1.
What is the InChIKey of 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine?
The InChIKey is GGECMFVQRFUFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F8N2O/c14-10(15)7-12(18,19)13(20,21)8-11(16,17)9-22-1-2-23-3-5-24-6-4-23/h10,22H,1-9H2.
What are the key properties of 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine?
2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine has a molecular weight of 372.30 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine is sourced from PubChem (CID 160816881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).