1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine

C13H24F6N2 — CID 118180986

IUPAC1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine
SMILESCCC(C)CNC(NC(C)(C)CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H24F6N2/c1-6-9(3)8-20-11(12(14,15)16,13(17,18)19)21-10(4,5)7-2/h9,20-21H,6-8H2,1-5H3
InChIKeyIYGFWZVGRQDPCV-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.22
Rot. Bonds7

About 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine

1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine (PubChem CID 118180986) has the molecular formula C13H24F6N2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine
PubChem CID118180986
Molecular FormulaC13H24F6N2
Molecular Weight322.34 g/mol
Exact Mass322.18
IUPAC Name1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine
SMILESCCC(C)CNC(NC(C)(C)CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H24F6N2/c1-6-9(3)8-20-11(12(14,15)16,13(17,18)19)21-10(4,5)7-2/h9,20-21H,6-8H2,1-5H3
InChIKeyIYGFWZVGRQDPCV-UHFFFAOYSA-N
XLogP4.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine (CID 118180986) is 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine is CCC(C)CNC(NC(C)(C)CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine?
The InChIKey is IYGFWZVGRQDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F6N2/c1-6-9(3)8-20-11(12(14,15)16,13(17,18)19)21-10(4,5)7-2/h9,20-21H,6-8H2,1-5H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine?
1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine has a molecular weight of 322.34 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-N'-(2-methylbutan-2-yl)-2-N-(2-methylbutyl)propane-2,2-diamine is sourced from PubChem (CID 118180986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).