(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine

C7H10F3NO — CID 143895507

IUPAC(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)OC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(11)3-4-6(2)12-7(8,9)10/h3-4H,11H2,1-2H3/b5-3+,6-4+
InChIKeyAIBGKDXPGTUAEP-GGWOSOGESA-N
MW181.16 g/mol
LogP2.29
Rot. Bonds2

About (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine

(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine (PubChem CID 143895507) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine
PubChem CID143895507
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine
SMILESC/C(N)=C\C=C(/C)OC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(11)3-4-6(2)12-7(8,9)10/h3-4H,11H2,1-2H3/b5-3+,6-4+
InChIKeyAIBGKDXPGTUAEP-GGWOSOGESA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.29
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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Related Compounds

(2Z,4E)-6,6,6-trifluoro-2-methoxy-5-methylhexa-2,4-dien-3-amine
CID 134250263
(3E)-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 142152225
(3E,5E)-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
CID 142164428
(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-amine
CID 156566216
(1E,3Z)-5,5,5-trifluoro-1-methoxypenta-1,3-diene-1,4-diamine
CID 169907358
(3Z)-1-(trifluoromethoxy)penta-1,3-dien-2-amine
CID 173489040
(2E,4Z)-5-amino-6,6,6-trifluorohexa-2,4-dien-2-ol
CID 153653657
(2E,4E)-5-methoxyhexa-2,4-dien-2-amine
CID 130240317
(3E)-4-methoxypenta-1,3-dien-2-amine
CID 142106439
(3Z)-4-methoxypenta-1,3-dien-2-amine
CID 163818022

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine (CID 143895507) is (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine is C/C(N)=C\C=C(/C)OC(F)(F)F.
What is the InChIKey of (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine?
The InChIKey is AIBGKDXPGTUAEP-GGWOSOGESA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5(11)3-4-6(2)12-7(8,9)10/h3-4H,11H2,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine?
(2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine has a molecular weight of 181.16 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(trifluoromethoxy)hexa-2,4-dien-2-amine is sourced from PubChem (CID 143895507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).