(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine

C8H10F3N — CID 130377922

IUPAC(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C(=C)NC)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h4-5,12H,1-2H2,3H3/b7-5+
InChIKeyDDTGDFNJWVISFG-FNORWQNLSA-N
MW177.17 g/mol
LogP2.39
Rot. Bonds3

About (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine

(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine (PubChem CID 130377922) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
PubChem CID130377922
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
SMILESC=C/C=C(\C(=C)NC)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h4-5,12H,1-2H2,3H3/b7-5+
InChIKeyDDTGDFNJWVISFG-FNORWQNLSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine (CID 130377922) is (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine is C=C/C=C(\C(=C)NC)C(F)(F)F.
What is the InChIKey of (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
The InChIKey is DDTGDFNJWVISFG-FNORWQNLSA-N. The full InChI is InChI=1S/C8H10F3N/c1-4-5-7(6(2)12-3)8(9,10)11/h4-5,12H,1-2H2,3H3/b7-5+.
What are the key properties of (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine?
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine has a molecular weight of 177.17 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 130377922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).