2-fluorobuta-1,3-diene

C4H5F — CID 551655

IUPAC2-fluorobuta-1,3-diene
SMILESC=CC(=C)F
InChIInChI=1S/C4H5F/c1-3-4(2)5/h3H,1-2H2
InChIKeyBQHQZFUAEAVJRE-UHFFFAOYSA-N
MW72.08 g/mol
LogP1.66
Rot. Bonds1

About 2-fluorobuta-1,3-diene

2-fluorobuta-1,3-diene (PubChem CID 551655) has the molecular formula C4H5F and a molecular weight of 72.08 g/mol. Its IUPAC name is 2-fluorobuta-1,3-diene.

Molecular Properties

Compound Name2-fluorobuta-1,3-diene
PubChem CID551655
Molecular FormulaC4H5F
Molecular Weight72.08 g/mol
Exact Mass72.04
IUPAC Name2-fluorobuta-1,3-diene
SMILESC=CC(=C)F
InChIInChI=1S/C4H5F/c1-3-4(2)5/h3H,1-2H2
InChIKeyBQHQZFUAEAVJRE-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.08
LogP ≤ 51.66
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 2-fluorobuta-1,3-diene?
The IUPAC name of 2-fluorobuta-1,3-diene (CID 551655) is 2-fluorobuta-1,3-diene.
What is the SMILES notation for 2-fluorobuta-1,3-diene?
The canonical SMILES for 2-fluorobuta-1,3-diene is C=CC(=C)F.
What is the InChIKey of 2-fluorobuta-1,3-diene?
The InChIKey is BQHQZFUAEAVJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F/c1-3-4(2)5/h3H,1-2H2.
What are the key properties of 2-fluorobuta-1,3-diene?
2-fluorobuta-1,3-diene has a molecular weight of 72.08 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobuta-1,3-diene is sourced from PubChem (CID 551655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).