(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine

C7H8F3N — CID 123318040

IUPAC(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5(7(8,9)10)3-4-6(2)11/h3-4,11H,1H2,2H3/b4-3-,11-6+
InChIKeyCAIYCVAROSJCCK-KXLXTGLCSA-N
MW163.14 g/mol
LogP2.70
Rot. Bonds2

About (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine

(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine (PubChem CID 123318040) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
PubChem CID123318040
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C\C(=C)C(F)(F)F
InChIInChI=1S/C7H8F3N/c1-5(7(8,9)10)3-4-6(2)11/h3-4,11H,1H2,2H3/b4-3-,11-6+
InChIKeyCAIYCVAROSJCCK-KXLXTGLCSA-N
XLogP2.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 52.70
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 (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine (CID 123318040) is (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine is [H]/N=C(C)/C=C\C(=C)C(F)(F)F.
What is the InChIKey of (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine?
The InChIKey is CAIYCVAROSJCCK-KXLXTGLCSA-N. The full InChI is InChI=1S/C7H8F3N/c1-5(7(8,9)10)3-4-6(2)11/h3-4,11H,1H2,2H3/b4-3-,11-6+.
What are the key properties of (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine?
(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine has a molecular weight of 163.14 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine is sourced from PubChem (CID 123318040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).