(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine

C8H11F3N2 — CID 144992804

IUPAC(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(CN)=N\C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-6(8(9,10)11)4-7(5-12)13-2/h3-4H,1,5,12H2,2H3/b6-4+,13-7-
InChIKeySWLLVWPMSBZMHD-VKIZFATHSA-N
MW192.18 g/mol
LogP1.69
Rot. Bonds3

About (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine

(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine (PubChem CID 144992804) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine
PubChem CID144992804
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine
SMILESC=C/C(=C\C(CN)=N\C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-6(8(9,10)11)4-7(5-12)13-2/h3-4H,1,5,12H2,2H3/b6-4+,13-7-
InChIKeySWLLVWPMSBZMHD-VKIZFATHSA-N
XLogP1.69
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine?
The IUPAC name of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine (CID 144992804) is (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine is C=C/C(=C\C(CN)=N\C)C(F)(F)F.
What is the InChIKey of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine?
The InChIKey is SWLLVWPMSBZMHD-VKIZFATHSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-6(8(9,10)11)4-7(5-12)13-2/h3-4H,1,5,12H2,2H3/b6-4+,13-7-.
What are the key properties of (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine?
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine has a molecular weight of 192.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 144992804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).