(3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine

C8H10F3NO — CID 89327348

IUPAC(3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C=C\OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(2)7(12)4-3-5-13-8(9,10)11/h3-5H,1,12H2,2H3/b5-3+,7-4+
InChIKeyGYPGFWKEROBORS-HJIKTHEYSA-N
MW193.17 g/mol
LogP2.46
Rot. Bonds3

About (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine

(3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine (PubChem CID 89327348) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine
PubChem CID89327348
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine
SMILESC=C(C)/C(N)=C\C=C\OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-6(2)7(12)4-3-5-13-8(9,10)11/h3-5H,1,12H2,2H3/b5-3+,7-4+
InChIKeyGYPGFWKEROBORS-HJIKTHEYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine (CID 89327348) is (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine is C=C(C)/C(N)=C\C=C\OC(F)(F)F.
What is the InChIKey of (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine?
The InChIKey is GYPGFWKEROBORS-HJIKTHEYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-6(2)7(12)4-3-5-13-8(9,10)11/h3-5H,1,12H2,2H3/b5-3+,7-4+.
What are the key properties of (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine?
(3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine has a molecular weight of 193.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-methyl-6-(trifluoromethoxy)hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 89327348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).