(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine

C7H8F3NO — CID 126604387

IUPAC(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-5(11)3-4-6(2)12-7(8,9)10/h3-4H,1-2,11H2/b4-3-
InChIKeyJVGLJLCKLUSZMN-ARJAWSKDSA-N
MW179.14 g/mol
LogP2.07
Rot. Bonds3

About (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine

(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine (PubChem CID 126604387) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
PubChem CID126604387
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C(=C)OC(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-5(11)3-4-6(2)12-7(8,9)10/h3-4H,1-2,11H2/b4-3-
InChIKeyJVGLJLCKLUSZMN-ARJAWSKDSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.07
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

(2E,4E)-5-fluoro-6-methoxyhepta-2,4,6-trien-3-amine
CID 89074120
(3E)-4-bromo-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 142152208
(3E)-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 142152225
(3E)-4-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 142875988
(3Z)-N-methyl-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 143206173
(3Z)-5-(1,1,2,2,2-pentafluoroethoxy)hexa-1,3,5-trien-2-amine
CID 143764486
(3E)-3-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 144251334
(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 145179777
(3Z)-5-methoxyhexa-1,3,5-trien-2-amine
CID 129065249
(3E)-5-methoxyhexa-1,3,5-trien-3-amine
CID 143873074

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine (CID 126604387) is (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine is C=C(N)/C=C\C(=C)OC(F)(F)F.
What is the InChIKey of (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine?
The InChIKey is JVGLJLCKLUSZMN-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-5(11)3-4-6(2)12-7(8,9)10/h3-4H,1-2,11H2/b4-3-.
What are the key properties of (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine?
(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine has a molecular weight of 179.14 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 126604387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).