(2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine

C13H14F3N — CID 143910763

IUPAC(2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine
SMILES[H]/N=C/C=C\C(=C)C(=C)/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C13H14F3N/c1-4-5-8-12(13(14,15)16)11(3)10(2)7-6-9-17/h4-9,17H,2-3H2,1H3/b5-4-,7-6-,12-8+,17-9+
InChIKeyIYEFWCGMMZCSST-UEVHOPASSA-N
MW241.26 g/mol
LogP4.37
Rot. Bonds5

About (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine

(2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine (PubChem CID 143910763) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine.

Molecular Properties

Compound Name(2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine
PubChem CID143910763
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name(2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine
SMILES[H]/N=C/C=C\C(=C)C(=C)/C(=C\C=C/C)C(F)(F)F
InChIInChI=1S/C13H14F3N/c1-4-5-8-12(13(14,15)16)11(3)10(2)7-6-9-17/h4-9,17H,2-3H2,1H3/b5-4-,7-6-,12-8+,17-9+
InChIKeyIYEFWCGMMZCSST-UEVHOPASSA-N
XLogP4.37
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine?
The IUPAC name of (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine (CID 143910763) is (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine.
What is the SMILES notation for (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine?
The canonical SMILES for (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine is [H]/N=C/C=C\C(=C)C(=C)/C(=C\C=C/C)C(F)(F)F.
What is the InChIKey of (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine?
The InChIKey is IYEFWCGMMZCSST-UEVHOPASSA-N. The full InChI is InChI=1S/C13H14F3N/c1-4-5-8-12(13(14,15)16)11(3)10(2)7-6-9-17/h4-9,17H,2-3H2,1H3/b5-4-,7-6-,12-8+,17-9+.
What are the key properties of (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine?
(2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine has a molecular weight of 241.26 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,8Z)-4,5-dimethylidene-6-(trifluoromethyl)deca-2,6,8-trien-1-imine is sourced from PubChem (CID 143910763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).