1,4,5,5,5-pentafluoropenta-1,3-diene

C5H3F5 — CID 57203539

IUPAC1,4,5,5,5-pentafluoropenta-1,3-diene
SMILESFC=CC=C(F)C(F)(F)F
InChIInChI=1S/C5H3F5/c6-3-1-2-4(7)5(8,9)10/h1-3H
InChIKeyPBXUHTTXVRMFRT-UHFFFAOYSA-N
MW158.07 g/mol
LogP2.89
Rot. Bonds1

About 1,4,5,5,5-pentafluoropenta-1,3-diene

1,4,5,5,5-pentafluoropenta-1,3-diene (PubChem CID 57203539) has the molecular formula C5H3F5 and a molecular weight of 158.07 g/mol. Its IUPAC name is 1,4,5,5,5-pentafluoropenta-1,3-diene.

Molecular Properties

Compound Name1,4,5,5,5-pentafluoropenta-1,3-diene
PubChem CID57203539
Molecular FormulaC5H3F5
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Name1,4,5,5,5-pentafluoropenta-1,3-diene
SMILESFC=CC=C(F)C(F)(F)F
InChIInChI=1S/C5H3F5/c6-3-1-2-4(7)5(8,9)10/h1-3H
InChIKeyPBXUHTTXVRMFRT-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 52.89
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 1,4,5,5,5-pentafluoropenta-1,3-diene?
The IUPAC name of 1,4,5,5,5-pentafluoropenta-1,3-diene (CID 57203539) is 1,4,5,5,5-pentafluoropenta-1,3-diene.
What is the SMILES notation for 1,4,5,5,5-pentafluoropenta-1,3-diene?
The canonical SMILES for 1,4,5,5,5-pentafluoropenta-1,3-diene is FC=CC=C(F)C(F)(F)F.
What is the InChIKey of 1,4,5,5,5-pentafluoropenta-1,3-diene?
The InChIKey is PBXUHTTXVRMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5/c6-3-1-2-4(7)5(8,9)10/h1-3H.
What are the key properties of 1,4,5,5,5-pentafluoropenta-1,3-diene?
1,4,5,5,5-pentafluoropenta-1,3-diene has a molecular weight of 158.07 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5,5-pentafluoropenta-1,3-diene is sourced from PubChem (CID 57203539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).