3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine

C12H20F8N2O2 — CID 10809506

IUPAC3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine
SMILESNCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCN
InChIInChI=1S/C12H20F8N2O2/c13-9(14,7-23-5-1-3-21)11(17,18)12(19,20)10(15,16)8-24-6-2-4-22/h1-8,21-22H2
InChIKeyARLXXMLKNNGGEM-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.26
Rot. Bonds13

About 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine

3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine (PubChem CID 10809506) has the molecular formula C12H20F8N2O2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine.

Molecular Properties

Compound Name3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine
PubChem CID10809506
Molecular FormulaC12H20F8N2O2
Molecular Weight376.29 g/mol
Exact Mass376.14
IUPAC Name3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine
SMILESNCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCN
InChIInChI=1S/C12H20F8N2O2/c13-9(14,7-23-5-1-3-21)11(17,18)12(19,20)10(15,16)8-24-6-2-4-22/h1-8,21-22H2
InChIKeyARLXXMLKNNGGEM-UHFFFAOYSA-N
XLogP2.26
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine?
The IUPAC name of 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine (CID 10809506) is 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine.
What is the SMILES notation for 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine?
The canonical SMILES for 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine is NCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCN.
What is the InChIKey of 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine?
The InChIKey is ARLXXMLKNNGGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F8N2O2/c13-9(14,7-23-5-1-3-21)11(17,18)12(19,20)10(15,16)8-24-6-2-4-22/h1-8,21-22H2.
What are the key properties of 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine?
3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine has a molecular weight of 376.29 g/mol, XLogP of 2.26, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-aminopropoxy)-2,2,3,3,4,4,5,5-octafluorohexoxy]propan-1-amine is sourced from PubChem (CID 10809506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).