2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine

C11H17F8NO — CID 121403368

IUPAC2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine
SMILESCCCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C11H17F8NO/c1-2-3-4-5-21-7-9(14,15)11(18,19)10(16,17)8(12,13)6-20/h2-7,20H2,1H3
InChIKeyDWPAPJYVEMMEJS-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.69
Rot. Bonds10

About 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine

2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine (PubChem CID 121403368) has the molecular formula C11H17F8NO and a molecular weight of 331.25 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine
PubChem CID121403368
Molecular FormulaC11H17F8NO
Molecular Weight331.25 g/mol
Exact Mass331.12
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine
SMILESCCCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C11H17F8NO/c1-2-3-4-5-21-7-9(14,15)11(18,19)10(16,17)8(12,13)6-20/h2-7,20H2,1H3
InChIKeyDWPAPJYVEMMEJS-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.69
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 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine (CID 121403368) is 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine is CCCCCOCC(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-pentoxyhexan-1-amine?
The InChIKey is DWPAPJYVEMMEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F8NO/c1-2-3-4-5-21-7-9(14,15)11(18,19)10(16,17)8(12,13)6-20/h2-7,20H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine?
2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine has a molecular weight of 331.25 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-6-pentoxyhexan-1-amine is sourced from PubChem (CID 121403368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).