(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene

C8H11F3 — CID 59014440

IUPAC(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene
SMILESC/C=C\C(=C/CC)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-5-7(6-4-2)8(9,10)11/h3,5-6H,4H2,1-2H3/b5-3-,7-6+
InChIKeyXDUKMCPDWOMOSB-AIJKMKQJSA-N
MW164.17 g/mol
LogP3.46
Rot. Bonds2

About (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene

(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene (PubChem CID 59014440) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene
PubChem CID59014440
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene
SMILESC/C=C\C(=C/CC)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-3-5-7(6-4-2)8(9,10)11/h3,5-6H,4H2,1-2H3/b5-3-,7-6+
InChIKeyXDUKMCPDWOMOSB-AIJKMKQJSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene?
The IUPAC name of (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene (CID 59014440) is (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene?
The canonical SMILES for (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene is C/C=C\C(=C/CC)C(F)(F)F.
What is the InChIKey of (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene?
The InChIKey is XDUKMCPDWOMOSB-AIJKMKQJSA-N. The full InChI is InChI=1S/C8H11F3/c1-3-5-7(6-4-2)8(9,10)11/h3,5-6H,4H2,1-2H3/b5-3-,7-6+.
What are the key properties of (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene?
(2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene has a molecular weight of 164.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-(trifluoromethyl)hepta-2,4-diene is sourced from PubChem (CID 59014440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).