(3E)-5,5,5-trifluoropenta-1,3-diene

C5H5F3 — CID 11629600

IUPAC(3E)-5,5,5-trifluoropenta-1,3-diene
SMILESC=C/C=C/C(F)(F)F
InChIInChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h2-4H,1H2/b4-3+
InChIKeyQAKJJUWCWSVYHU-ONEGZZNKSA-N
MW122.09 g/mol
LogP2.29
Rot. Bonds1

About (3E)-5,5,5-trifluoropenta-1,3-diene

(3E)-5,5,5-trifluoropenta-1,3-diene (PubChem CID 11629600) has the molecular formula C5H5F3 and a molecular weight of 122.09 g/mol. Its IUPAC name is (3E)-5,5,5-trifluoropenta-1,3-diene.

Molecular Properties

Compound Name(3E)-5,5,5-trifluoropenta-1,3-diene
PubChem CID11629600
Molecular FormulaC5H5F3
Molecular Weight122.09 g/mol
Exact Mass122.03
IUPAC Name(3E)-5,5,5-trifluoropenta-1,3-diene
SMILESC=C/C=C/C(F)(F)F
InChIInChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h2-4H,1H2/b4-3+
InChIKeyQAKJJUWCWSVYHU-ONEGZZNKSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 52.29
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)-5,5,5-trifluoropenta-1,3-diene?
The IUPAC name of (3E)-5,5,5-trifluoropenta-1,3-diene (CID 11629600) is (3E)-5,5,5-trifluoropenta-1,3-diene.
What is the SMILES notation for (3E)-5,5,5-trifluoropenta-1,3-diene?
The canonical SMILES for (3E)-5,5,5-trifluoropenta-1,3-diene is C=C/C=C/C(F)(F)F.
What is the InChIKey of (3E)-5,5,5-trifluoropenta-1,3-diene?
The InChIKey is QAKJJUWCWSVYHU-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H5F3/c1-2-3-4-5(6,7)8/h2-4H,1H2/b4-3+.
What are the key properties of (3E)-5,5,5-trifluoropenta-1,3-diene?
(3E)-5,5,5-trifluoropenta-1,3-diene has a molecular weight of 122.09 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,5,5-trifluoropenta-1,3-diene is sourced from PubChem (CID 11629600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).