(2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine

C7H7ClF3N — CID 118019241

IUPAC(2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C7H7ClF3N/c1-5(8)4-6(2-3-12)7(9,10)11/h2-4,12H,1H3/b5-4+,6-2+,12-3+
InChIKeyZMFJXISTLJQGQB-MPEPRFPVSA-N
MW197.59 g/mol
LogP3.27
Rot. Bonds2

About (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine

(2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine (PubChem CID 118019241) has the molecular formula C7H7ClF3N and a molecular weight of 197.59 g/mol. Its IUPAC name is (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine
PubChem CID118019241
Molecular FormulaC7H7ClF3N
Molecular Weight197.59 g/mol
Exact Mass197.02
IUPAC Name(2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(\C=C(/C)Cl)C(F)(F)F
InChIInChI=1S/C7H7ClF3N/c1-5(8)4-6(2-3-12)7(9,10)11/h2-4,12H,1H3/b5-4+,6-2+,12-3+
InChIKeyZMFJXISTLJQGQB-MPEPRFPVSA-N
XLogP3.27
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.59
LogP ≤ 53.27
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 (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine (CID 118019241) is (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine is [H]/N=C/C=C(\C=C(/C)Cl)C(F)(F)F.
What is the InChIKey of (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
The InChIKey is ZMFJXISTLJQGQB-MPEPRFPVSA-N. The full InChI is InChI=1S/C7H7ClF3N/c1-5(8)4-6(2-3-12)7(9,10)11/h2-4,12H,1H3/b5-4+,6-2+,12-3+.
What are the key properties of (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine?
(2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine has a molecular weight of 197.59 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-chloro-3-(trifluoromethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 118019241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).