4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene

C7H7F5 — CID 57287420

IUPAC4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene
SMILESC=CC(CCF)=C(F)C(F)(F)F
InChIInChI=1S/C7H7F5/c1-2-5(3-4-8)6(9)7(10,11)12/h2H,1,3-4H2
InChIKeyLWEGZMBUJBQHPC-UHFFFAOYSA-N
MW186.12 g/mol
LogP3.32
Rot. Bonds3

About 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene

4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene (PubChem CID 57287420) has the molecular formula C7H7F5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene
PubChem CID57287420
Molecular FormulaC7H7F5
Molecular Weight186.12 g/mol
Exact Mass186.05
IUPAC Name4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene
SMILESC=CC(CCF)=C(F)C(F)(F)F
InChIInChI=1S/C7H7F5/c1-2-5(3-4-8)6(9)7(10,11)12/h2H,1,3-4H2
InChIKeyLWEGZMBUJBQHPC-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene?
The IUPAC name of 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene (CID 57287420) is 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene.
What is the SMILES notation for 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene?
The canonical SMILES for 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene is C=CC(CCF)=C(F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene?
The InChIKey is LWEGZMBUJBQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5/c1-2-5(3-4-8)6(9)7(10,11)12/h2H,1,3-4H2.
What are the key properties of 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene?
4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene has a molecular weight of 186.12 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene is sourced from PubChem (CID 57287420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).