[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium

C7H11F3NO+ — CID 176670551

IUPAC[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium
SMILESCCC(=[NH2+])/C=C(\OC)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-5(11)4-6(12-2)7(8,9)10/h4,11H,3H2,1-2H3/p+1/b6-4-,11-5?
InChIKeyTXSNNGOVBKQKMK-RXNMKLAZSA-O
MW182.16 g/mol
LogP0.69
Rot. Bonds3

About [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium

[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium (PubChem CID 176670551) has the molecular formula C7H11F3NO+ and a molecular weight of 182.16 g/mol. Its IUPAC name is [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium.

Molecular Properties

Compound Name[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium
PubChem CID176670551
Molecular FormulaC7H11F3NO+
Molecular Weight182.16 g/mol
Exact Mass182.08
IUPAC Name[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium
SMILESCCC(=[NH2+])/C=C(\OC)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-3-5(11)4-6(12-2)7(8,9)10/h4,11H,3H2,1-2H3/p+1/b6-4-,11-5?
InChIKeyTXSNNGOVBKQKMK-RXNMKLAZSA-O
XLogP0.69
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,5E)-3-methoxy-5-(trifluoromethyl)hepta-2,5-dien-4-imine
CID 123292821
(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-imine
CID 176670552
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
(E)-5-methoxyhept-4-en-3-imine
CID 169683442

Frequently Asked Questions

What is the IUPAC name of [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium?
The IUPAC name of [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium (CID 176670551) is [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium.
What is the SMILES notation for [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium?
The canonical SMILES for [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium is CCC(=[NH2+])/C=C(\OC)C(F)(F)F.
What is the InChIKey of [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium?
The InChIKey is TXSNNGOVBKQKMK-RXNMKLAZSA-O. The full InChI is InChI=1S/C7H10F3NO/c1-3-5(11)4-6(12-2)7(8,9)10/h4,11H,3H2,1-2H3/p+1/b6-4-,11-5?.
What are the key properties of [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium?
[(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium has a molecular weight of 182.16 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6,6,6-trifluoro-5-methoxyhex-4-en-3-ylidene]azanium is sourced from PubChem (CID 176670551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).