1,2,3-trifluorobuta-1,3-diene

C4H3F3 — CID 74023417

IUPAC1,2,3-trifluorobuta-1,3-diene
SMILESC=C(F)C(F)=CF
InChIInChI=1S/C4H3F3/c1-3(6)4(7)2-5/h2H,1H2
InChIKeyROBMBNAZGOKZQH-UHFFFAOYSA-N
MW108.06 g/mol
LogP2.25
Rot. Bonds1

About 1,2,3-trifluorobuta-1,3-diene

1,2,3-trifluorobuta-1,3-diene (PubChem CID 74023417) has the molecular formula C4H3F3 and a molecular weight of 108.06 g/mol. Its IUPAC name is 1,2,3-trifluorobuta-1,3-diene.

Molecular Properties

Compound Name1,2,3-trifluorobuta-1,3-diene
PubChem CID74023417
Molecular FormulaC4H3F3
Molecular Weight108.06 g/mol
Exact Mass108.02
IUPAC Name1,2,3-trifluorobuta-1,3-diene
SMILESC=C(F)C(F)=CF
InChIInChI=1S/C4H3F3/c1-3(6)4(7)2-5/h2H,1H2
InChIKeyROBMBNAZGOKZQH-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.06
LogP ≤ 52.25
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 1,2,3-trifluorobuta-1,3-diene?
The IUPAC name of 1,2,3-trifluorobuta-1,3-diene (CID 74023417) is 1,2,3-trifluorobuta-1,3-diene.
What is the SMILES notation for 1,2,3-trifluorobuta-1,3-diene?
The canonical SMILES for 1,2,3-trifluorobuta-1,3-diene is C=C(F)C(F)=CF.
What is the InChIKey of 1,2,3-trifluorobuta-1,3-diene?
The InChIKey is ROBMBNAZGOKZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3/c1-3(6)4(7)2-5/h2H,1H2.
What are the key properties of 1,2,3-trifluorobuta-1,3-diene?
1,2,3-trifluorobuta-1,3-diene has a molecular weight of 108.06 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluorobuta-1,3-diene is sourced from PubChem (CID 74023417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).