2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine

C6H8F8N2 — CID 2779375

IUPAC2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
SMILESNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C6H8F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2,15-16H2
InChIKeySQYCOUFPSXBQSO-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.45
Rot. Bonds5

About 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine

2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine (PubChem CID 2779375) has the molecular formula C6H8F8N2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
PubChem CID2779375
Molecular FormulaC6H8F8N2
Molecular Weight260.13 g/mol
Exact Mass260.06
IUPAC Name2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine
SMILESNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CN
InChIInChI=1S/C6H8F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2,15-16H2
InChIKeySQYCOUFPSXBQSO-UHFFFAOYSA-N
XLogP1.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-octafluorohexane-1,6-diamine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine (CID 2779375) is 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine is NCC(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-octafluorohexane-1,6-diamine?
The InChIKey is SQYCOUFPSXBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h1-2,15-16H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine?
2,2,3,3,4,4,5,5-octafluorohexane-1,6-diamine has a molecular weight of 260.13 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 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-octafluorohexane-1,6-diamine is sourced from PubChem (CID 2779375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).