4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine

C8H11F3N2 — CID 162611634

IUPAC4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine
SMILESC=C(/C(C=C(C)N)=N/C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(12)4-7(13-3)6(2)8(9,10)11/h4H,2,12H2,1,3H3/b5-4?,13-7+
InChIKeyUJFFFKJCFQWYNZ-GVSYHEQVSA-N
MW192.18 g/mol
LogP2.04
Rot. Bonds2

About 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine

4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine (PubChem CID 162611634) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine.

Molecular Properties

Compound Name4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine
PubChem CID162611634
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine
SMILESC=C(/C(C=C(C)N)=N/C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(12)4-7(13-3)6(2)8(9,10)11/h4H,2,12H2,1,3H3/b5-4?,13-7+
InChIKeyUJFFFKJCFQWYNZ-GVSYHEQVSA-N
XLogP2.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
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 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
The IUPAC name of 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine (CID 162611634) is 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine.
What is the SMILES notation for 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
The canonical SMILES for 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine is C=C(/C(C=C(C)N)=N/C)C(F)(F)F.
What is the InChIKey of 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
The InChIKey is UJFFFKJCFQWYNZ-GVSYHEQVSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(12)4-7(13-3)6(2)8(9,10)11/h4H,2,12H2,1,3H3/b5-4?,13-7+.
What are the key properties of 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine has a molecular weight of 192.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine is sourced from PubChem (CID 162611634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).