(2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine

C7H10F3NO — CID 126710481

IUPAC(2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine
SMILESC=C(/C=C(\C)CN)OC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(4-11)3-6(2)12-7(8,9)10/h3H,2,4,11H2,1H3/b5-3+
InChIKeyMPMUKZGDHKTLLO-HWKANZROSA-N
MW181.16 g/mol
LogP1.94
Rot. Bonds3

About (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine

(2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine (PubChem CID 126710481) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine
PubChem CID126710481
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine
SMILESC=C(/C=C(\C)CN)OC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(4-11)3-6(2)12-7(8,9)10/h3H,2,4,11H2,1H3/b5-3+
InChIKeyMPMUKZGDHKTLLO-HWKANZROSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.94
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 (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine (CID 126710481) is (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine is C=C(/C=C(\C)CN)OC(F)(F)F.
What is the InChIKey of (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine?
The InChIKey is MPMUKZGDHKTLLO-HWKANZROSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5(4-11)3-6(2)12-7(8,9)10/h3H,2,4,11H2,1H3/b5-3+.
What are the key properties of (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine?
(2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine has a molecular weight of 181.16 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methyl-4-(trifluoromethoxy)penta-2,4-dien-1-amine is sourced from PubChem (CID 126710481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).