3-fluoropenta-1,4-diene

C5H7F — CID 19020103

IUPAC3-fluoropenta-1,4-diene
SMILESC=CC(F)C=C
InChIInChI=1S/C5H7F/c1-3-5(6)4-2/h3-5H,1-2H2
InChIKeyDVOYBAVNEYKMGS-UHFFFAOYSA-N
MW86.11 g/mol
LogP1.70
Rot. Bonds2

About 3-fluoropenta-1,4-diene

3-fluoropenta-1,4-diene (PubChem CID 19020103) has the molecular formula C5H7F and a molecular weight of 86.11 g/mol. Its IUPAC name is 3-fluoropenta-1,4-diene.

Molecular Properties

Compound Name3-fluoropenta-1,4-diene
PubChem CID19020103
Molecular FormulaC5H7F
Molecular Weight86.11 g/mol
Exact Mass86.05
IUPAC Name3-fluoropenta-1,4-diene
SMILESC=CC(F)C=C
InChIInChI=1S/C5H7F/c1-3-5(6)4-2/h3-5H,1-2H2
InChIKeyDVOYBAVNEYKMGS-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.11
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropenta-1,4-diene?
The IUPAC name of 3-fluoropenta-1,4-diene (CID 19020103) is 3-fluoropenta-1,4-diene.
What is the SMILES notation for 3-fluoropenta-1,4-diene?
The canonical SMILES for 3-fluoropenta-1,4-diene is C=CC(F)C=C.
What is the InChIKey of 3-fluoropenta-1,4-diene?
The InChIKey is DVOYBAVNEYKMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F/c1-3-5(6)4-2/h3-5H,1-2H2.
What are the key properties of 3-fluoropenta-1,4-diene?
3-fluoropenta-1,4-diene has a molecular weight of 86.11 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropenta-1,4-diene is sourced from PubChem (CID 19020103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).