2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine

C13H21F8NO2 — CID 121403427

IUPAC2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine
SMILESCCCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCN
InChIInChI=1S/C13H21F8NO2/c1-2-3-4-6-23-8-10(14,15)12(18,19)13(20,21)11(16,17)9-24-7-5-22/h2-9,22H2,1H3
InChIKeyGYCZIVDFTNTLEL-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.71
Rot. Bonds13

About 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine

2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine (PubChem CID 121403427) has the molecular formula C13H21F8NO2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine.

Molecular Properties

Compound Name2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine
PubChem CID121403427
Molecular FormulaC13H21F8NO2
Molecular Weight375.30 g/mol
Exact Mass375.14
IUPAC Name2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine
SMILESCCCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCN
InChIInChI=1S/C13H21F8NO2/c1-2-3-4-6-23-8-10(14,15)12(18,19)13(20,21)11(16,17)9-24-7-5-22/h2-9,22H2,1H3
InChIKeyGYCZIVDFTNTLEL-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine?
The IUPAC name of 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine (CID 121403427) is 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine.
What is the SMILES notation for 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine?
The canonical SMILES for 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine is CCCCCOCC(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-octafluoro-6-pentoxyhexoxy)ethanamine?
The InChIKey is GYCZIVDFTNTLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F8NO2/c1-2-3-4-6-23-8-10(14,15)12(18,19)13(20,21)11(16,17)9-24-7-5-22/h2-9,22H2,1H3.
What are the key properties of 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine?
2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine has a molecular weight of 375.30 g/mol, XLogP of 3.71, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexoxy)ethanamine is sourced from PubChem (CID 121403427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).