2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine

C11H20F6N2 — CID 101055996

IUPAC2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine
SMILESCC(C)NCC(F)(F)C(F)(F)C(F)(F)CNC(C)C
InChIInChI=1S/C11H20F6N2/c1-7(2)18-5-9(12,13)11(16,17)10(14,15)6-19-8(3)4/h7-8,18-19H,5-6H2,1-4H3
InChIKeyDCOSSCPKSBNSJK-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.89
Rot. Bonds8

About 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine

2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine (PubChem CID 101055996) has the molecular formula C11H20F6N2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine
PubChem CID101055996
Molecular FormulaC11H20F6N2
Molecular Weight294.28 g/mol
Exact Mass294.15
IUPAC Name2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine
SMILESCC(C)NCC(F)(F)C(F)(F)C(F)(F)CNC(C)C
InChIInChI=1S/C11H20F6N2/c1-7(2)18-5-9(12,13)11(16,17)10(14,15)6-19-8(3)4/h7-8,18-19H,5-6H2,1-4H3
InChIKeyDCOSSCPKSBNSJK-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine (CID 101055996) is 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine is CC(C)NCC(F)(F)C(F)(F)C(F)(F)CNC(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine?
The InChIKey is DCOSSCPKSBNSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F6N2/c1-7(2)18-5-9(12,13)11(16,17)10(14,15)6-19-8(3)4/h7-8,18-19H,5-6H2,1-4H3.
What are the key properties of 2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine?
2,2,3,3,4,4-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine has a molecular weight of 294.28 g/mol, XLogP of 2.89, 8 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-hexafluoro-N,N'-di(propan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 101055996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).