(2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine

C7H7F4N — CID 143144694

IUPAC(2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C(F)\C=C\C)C(F)(F)F
InChIInChI=1S/C7H7F4N/c1-2-3-6(8)5(4-12)7(9,10)11/h2-4,12H,1H3/b3-2+,6-5-,12-4+
InChIKeySDUBEFGBIVERBM-POTCZDRGSA-N
MW181.13 g/mol
LogP3.00
Rot. Bonds2

About (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine

(2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine (PubChem CID 143144694) has the molecular formula C7H7F4N and a molecular weight of 181.13 g/mol. Its IUPAC name is (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine
PubChem CID143144694
Molecular FormulaC7H7F4N
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name(2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C(F)\C=C\C)C(F)(F)F
InChIInChI=1S/C7H7F4N/c1-2-3-6(8)5(4-12)7(9,10)11/h2-4,12H,1H3/b3-2+,6-5-,12-4+
InChIKeySDUBEFGBIVERBM-POTCZDRGSA-N
XLogP3.00
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 53.00
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,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine (CID 143144694) is (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine is [H]/N=C/C(=C(F)\C=C\C)C(F)(F)F.
What is the InChIKey of (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine?
The InChIKey is SDUBEFGBIVERBM-POTCZDRGSA-N. The full InChI is InChI=1S/C7H7F4N/c1-2-3-6(8)5(4-12)7(9,10)11/h2-4,12H,1H3/b3-2+,6-5-,12-4+.
What are the key properties of (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine?
(2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine has a molecular weight of 181.13 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-fluoro-2-(trifluoromethyl)hexa-2,4-dien-1-imine is sourced from PubChem (CID 143144694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).