1,1,2,4,4-pentafluorobuta-1,3-diene

C4HF5 — CID 19748036

IUPAC1,1,2,4,4-pentafluorobuta-1,3-diene
SMILESFC(F)=CC(F)=C(F)F
InChIInChI=1S/C4HF5/c5-2(4(8)9)1-3(6)7/h1H
InChIKeyGYMLLFSTNRFMDH-UHFFFAOYSA-N
MW144.04 g/mol
LogP2.84
Rot. Bonds1

About 1,1,2,4,4-pentafluorobuta-1,3-diene

1,1,2,4,4-pentafluorobuta-1,3-diene (PubChem CID 19748036) has the molecular formula C4HF5 and a molecular weight of 144.04 g/mol. Its IUPAC name is 1,1,2,4,4-pentafluorobuta-1,3-diene.

Molecular Properties

Compound Name1,1,2,4,4-pentafluorobuta-1,3-diene
PubChem CID19748036
Molecular FormulaC4HF5
Molecular Weight144.04 g/mol
Exact Mass144.00
IUPAC Name1,1,2,4,4-pentafluorobuta-1,3-diene
SMILESFC(F)=CC(F)=C(F)F
InChIInChI=1S/C4HF5/c5-2(4(8)9)1-3(6)7/h1H
InChIKeyGYMLLFSTNRFMDH-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 52.84
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 1,1,2,4,4-pentafluorobuta-1,3-diene?
The IUPAC name of 1,1,2,4,4-pentafluorobuta-1,3-diene (CID 19748036) is 1,1,2,4,4-pentafluorobuta-1,3-diene.
What is the SMILES notation for 1,1,2,4,4-pentafluorobuta-1,3-diene?
The canonical SMILES for 1,1,2,4,4-pentafluorobuta-1,3-diene is FC(F)=CC(F)=C(F)F.
What is the InChIKey of 1,1,2,4,4-pentafluorobuta-1,3-diene?
The InChIKey is GYMLLFSTNRFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5/c5-2(4(8)9)1-3(6)7/h1H.
What are the key properties of 1,1,2,4,4-pentafluorobuta-1,3-diene?
1,1,2,4,4-pentafluorobuta-1,3-diene has a molecular weight of 144.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4-pentafluorobuta-1,3-diene is sourced from PubChem (CID 19748036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).