1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine

C7H11F3N2 — CID 118002011

IUPAC1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine
SMILESC/N=C(\C)C/C(=N\C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(11-2)4-6(12-3)7(8,9)10/h4H2,1-3H3/b11-5+,12-6+
InChIKeyUSGOAILTNSVGCJ-YDWXAUTNSA-N
MW180.17 g/mol
LogP2.10
Rot. Bonds2

About 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine

1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine (PubChem CID 118002011) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine
PubChem CID118002011
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine
SMILESC/N=C(\C)C/C(=N\C)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(11-2)4-6(12-3)7(8,9)10/h4H2,1-3H3/b11-5+,12-6+
InChIKeyUSGOAILTNSVGCJ-YDWXAUTNSA-N
XLogP2.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine?
The IUPAC name of 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine (CID 118002011) is 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine.
What is the SMILES notation for 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine?
The canonical SMILES for 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine is C/N=C(\C)C/C(=N\C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine?
The InChIKey is USGOAILTNSVGCJ-YDWXAUTNSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(11-2)4-6(12-3)7(8,9)10/h4H2,1-3H3/b11-5+,12-6+.
What are the key properties of 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine?
1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine has a molecular weight of 180.17 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine is sourced from PubChem (CID 118002011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).