2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine

C14H23F8NO — CID 121403424

IUPAC2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCN
InChIInChI=1S/C14H23F8NO/c1-2-3-4-5-6-7-11(15,16)13(19,20)14(21,22)12(17,18)10-24-9-8-23/h2-10,23H2,1H3
InChIKeyWMZPHKHKRFPPMP-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.86
Rot. Bonds13

About 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine

2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine (PubChem CID 121403424) has the molecular formula C14H23F8NO and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine
PubChem CID121403424
Molecular FormulaC14H23F8NO
Molecular Weight373.33 g/mol
Exact Mass373.17
IUPAC Name2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCN
InChIInChI=1S/C14H23F8NO/c1-2-3-4-5-6-7-11(15,16)13(19,20)14(21,22)12(17,18)10-24-9-8-23/h2-10,23H2,1H3
InChIKeyWMZPHKHKRFPPMP-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine?
The IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine (CID 121403424) is 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine is CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCN.
What is the InChIKey of 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine?
The InChIKey is WMZPHKHKRFPPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F8NO/c1-2-3-4-5-6-7-11(15,16)13(19,20)14(21,22)12(17,18)10-24-9-8-23/h2-10,23H2,1H3.
What are the key properties of 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine?
2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine has a molecular weight of 373.33 g/mol, XLogP of 4.86, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5-octafluorododecoxy)ethanamine is sourced from PubChem (CID 121403424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).