4-fluorobuta-1,2-diene

C4H5F — CID 22159642

IUPAC4-fluorobuta-1,2-diene
SMILESC=C=CCF
InChIInChI=1S/C4H5F/c1-2-3-4-5/h3H,1,4H2
InChIKeyRTECIGYIOJDCHR-UHFFFAOYSA-N
MW72.08 g/mol
LogP1.30
Rot. Bonds1

About 4-fluorobuta-1,2-diene

4-fluorobuta-1,2-diene (PubChem CID 22159642) has the molecular formula C4H5F and a molecular weight of 72.08 g/mol. Its IUPAC name is 4-fluorobuta-1,2-diene.

Molecular Properties

Compound Name4-fluorobuta-1,2-diene
PubChem CID22159642
Molecular FormulaC4H5F
Molecular Weight72.08 g/mol
Exact Mass72.04
IUPAC Name4-fluorobuta-1,2-diene
SMILESC=C=CCF
InChIInChI=1S/C4H5F/c1-2-3-4-5/h3H,1,4H2
InChIKeyRTECIGYIOJDCHR-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobuta-1,2-diene?
The IUPAC name of 4-fluorobuta-1,2-diene (CID 22159642) is 4-fluorobuta-1,2-diene.
What is the SMILES notation for 4-fluorobuta-1,2-diene?
The canonical SMILES for 4-fluorobuta-1,2-diene is C=C=CCF.
What is the InChIKey of 4-fluorobuta-1,2-diene?
The InChIKey is RTECIGYIOJDCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F/c1-2-3-4-5/h3H,1,4H2.
What are the key properties of 4-fluorobuta-1,2-diene?
4-fluorobuta-1,2-diene has a molecular weight of 72.08 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobuta-1,2-diene is sourced from PubChem (CID 22159642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).