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

C4H6F6N2 — CID 87847871

IUPAC1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine
SMILESCNC(F)(F)C(F)(F)C(N)(F)F
InChIInChI=1S/C4H6F6N2/c1-12-4(9,10)2(5,6)3(7,8)11/h12H,11H2,1H3
InChIKeyLENIXQWDGWNQNS-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.99
Rot. Bonds3

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

1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine (PubChem CID 87847871) has the molecular formula C4H6F6N2 and a molecular weight of 196.09 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine
PubChem CID87847871
Molecular FormulaC4H6F6N2
Molecular Weight196.09 g/mol
Exact Mass196.04
IUPAC Name1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine
SMILESCNC(F)(F)C(F)(F)C(N)(F)F
InChIInChI=1S/C4H6F6N2/c1-12-4(9,10)2(5,6)3(7,8)11/h12H,11H2,1H3
InChIKeyLENIXQWDGWNQNS-UHFFFAOYSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine (CID 87847871) is 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine is CNC(F)(F)C(F)(F)C(N)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine?
The InChIKey is LENIXQWDGWNQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F6N2/c1-12-4(9,10)2(5,6)3(7,8)11/h12H,11H2,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine?
1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine has a molecular weight of 196.09 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 87847871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).