5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene

C6H6F4 — CID 175246935

IUPAC5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene
SMILESC=CC=C(CF)C(F)(F)F
InChIInChI=1S/C6H6F4/c1-2-3-5(4-7)6(8,9)10/h2-3H,1,4H2
InChIKeyOZQFEICNNUKMML-UHFFFAOYSA-N
MW154.11 g/mol
LogP2.63
Rot. Bonds2

About 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene

5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene (PubChem CID 175246935) has the molecular formula C6H6F4 and a molecular weight of 154.11 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene
PubChem CID175246935
Molecular FormulaC6H6F4
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene
SMILESC=CC=C(CF)C(F)(F)F
InChIInChI=1S/C6H6F4/c1-2-3-5(4-7)6(8,9)10/h2-3H,1,4H2
InChIKeyOZQFEICNNUKMML-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 52.63
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 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene?
The IUPAC name of 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene (CID 175246935) is 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene.
What is the SMILES notation for 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene?
The canonical SMILES for 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene is C=CC=C(CF)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene?
The InChIKey is OZQFEICNNUKMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4/c1-2-3-5(4-7)6(8,9)10/h2-3H,1,4H2.
What are the key properties of 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene?
5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene has a molecular weight of 154.11 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-(fluoromethyl)penta-1,3-diene is sourced from PubChem (CID 175246935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).