2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine

C6H10F6N2 — CID 118180973

IUPAC2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine
SMILESCCNC(NC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H10F6N2/c1-3-14-4(13-2,5(7,8)9)6(10,11)12/h13-14H,3H2,1-2H3
InChIKeySILBIWOHQZKXHY-UHFFFAOYSA-N
MW224.15 g/mol
LogP1.64
Rot. Bonds3

About 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine

2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine (PubChem CID 118180973) has the molecular formula C6H10F6N2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine.

Molecular Properties

Compound Name2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine
PubChem CID118180973
Molecular FormulaC6H10F6N2
Molecular Weight224.15 g/mol
Exact Mass224.07
IUPAC Name2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine
SMILESCCNC(NC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H10F6N2/c1-3-14-4(13-2,5(7,8)9)6(10,11)12/h13-14H,3H2,1-2H3
InChIKeySILBIWOHQZKXHY-UHFFFAOYSA-N
XLogP1.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 51.64
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 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine?
The IUPAC name of 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine (CID 118180973) is 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine.
What is the SMILES notation for 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine?
The canonical SMILES for 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine is CCNC(NC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine?
The InChIKey is SILBIWOHQZKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F6N2/c1-3-14-4(13-2,5(7,8)9)6(10,11)12/h13-14H,3H2,1-2H3.
What are the key properties of 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine?
2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine has a molecular weight of 224.15 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-ethyl-1,1,1,3,3,3-hexafluoro-2-N-methylpropane-2,2-diamine is sourced from PubChem (CID 118180973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).