2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine

C15H25F8NO5 — CID 86673244

IUPAC2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine
SMILESCOCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C15H25F8NO5/c1-25-2-3-26-4-5-27-6-7-28-8-9-29-11-13(18,19)15(22,23)14(20,21)12(16,17)10-24/h2-11,24H2,1H3
InChIKeyVKYYQPCDMCTBGV-UHFFFAOYSA-N
MW451.35 g/mol
LogP2.20
Rot. Bonds18

About 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine

2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine (PubChem CID 86673244) has the molecular formula C15H25F8NO5 and a molecular weight of 451.35 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine
PubChem CID86673244
Molecular FormulaC15H25F8NO5
Molecular Weight451.35 g/mol
Exact Mass451.16
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine
SMILESCOCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C15H25F8NO5/c1-25-2-3-26-4-5-27-6-7-28-8-9-29-11-13(18,19)15(22,23)14(20,21)12(16,17)10-24/h2-11,24H2,1H3
InChIKeyVKYYQPCDMCTBGV-UHFFFAOYSA-N
XLogP2.20
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine (CID 86673244) is 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine is COCCOCCOCCOCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CN.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine?
The InChIKey is VKYYQPCDMCTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F8NO5/c1-25-2-3-26-4-5-27-6-7-28-8-9-29-11-13(18,19)15(22,23)14(20,21)12(16,17)10-24/h2-11,24H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine?
2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine has a molecular weight of 451.35 g/mol, XLogP of 2.20, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-6-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]hexan-1-amine is sourced from PubChem (CID 86673244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).