(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene

C7H7F3 — CID 118964187

IUPAC(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
SMILESC=C(F)/C=C(F)\C=C(/C)F
InChIInChI=1S/C7H7F3/c1-5(8)3-7(10)4-6(2)9/h3-4H,1H2,2H3/b6-4+,7-3+
InChIKeyJGWNPJDKRDFLDA-DVFLZCIWSA-N
MW148.13 g/mol
LogP3.20
Rot. Bonds2

About (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene

(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene (PubChem CID 118964187) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
PubChem CID118964187
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
SMILESC=C(F)/C=C(F)\C=C(/C)F
InChIInChI=1S/C7H7F3/c1-5(8)3-7(10)4-6(2)9/h3-4H,1H2,2H3/b6-4+,7-3+
InChIKeyJGWNPJDKRDFLDA-DVFLZCIWSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 53.20
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 (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene?
The IUPAC name of (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene (CID 118964187) is (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene is C=C(F)/C=C(F)\C=C(/C)F.
What is the InChIKey of (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene?
The InChIKey is JGWNPJDKRDFLDA-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H7F3/c1-5(8)3-7(10)4-6(2)9/h3-4H,1H2,2H3/b6-4+,7-3+.
What are the key properties of (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene?
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene has a molecular weight of 148.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2,4,6-trifluorohepta-1,3,5-triene is sourced from PubChem (CID 118964187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).