1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine

C8H8F6N2 — CID 162611638

IUPAC1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine
SMILESC=C(/C(C=C(N)C(F)(F)F)=N\C)C(F)(F)F
InChIInChI=1S/C8H8F6N2/c1-4(7(9,10)11)5(16-2)3-6(15)8(12,13)14/h3H,1,15H2,2H3/b6-3?,16-5-
InChIKeyIJAVNIFTQJDKQI-UGQPUWPYSA-N
MW246.15 g/mol
LogP2.58
Rot. Bonds2

About 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine

1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine (PubChem CID 162611638) has the molecular formula C8H8F6N2 and a molecular weight of 246.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine
PubChem CID162611638
Molecular FormulaC8H8F6N2
Molecular Weight246.15 g/mol
Exact Mass246.06
IUPAC Name1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine
SMILESC=C(/C(C=C(N)C(F)(F)F)=N\C)C(F)(F)F
InChIInChI=1S/C8H8F6N2/c1-4(7(9,10)11)5(16-2)3-6(15)8(12,13)14/h3H,1,15H2,2H3/b6-3?,16-5-
InChIKeyIJAVNIFTQJDKQI-UGQPUWPYSA-N
XLogP2.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.58
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 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine (CID 162611638) is 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine is C=C(/C(C=C(N)C(F)(F)F)=N\C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
The InChIKey is IJAVNIFTQJDKQI-UGQPUWPYSA-N. The full InChI is InChI=1S/C8H8F6N2/c1-4(7(9,10)11)5(16-2)3-6(15)8(12,13)14/h3H,1,15H2,2H3/b6-3?,16-5-.
What are the key properties of 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine?
1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine has a molecular weight of 246.15 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methylimino-5-(trifluoromethyl)hexa-2,5-dien-2-amine is sourced from PubChem (CID 162611638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).