1-fluoropropa-1,2-diene

C3HF+2 — CID 177486044

IUPAC1-fluoropropa-1,2-diene
SMILES[CH+]=C=[C+]F
InChIInChI=1S/C3HF/c1-2-3-4/h1H/q+2
InChIKeyUZDWNOIFZSRQAX-UHFFFAOYSA-N
MW56.04 g/mol
LogP0.86
Rot. Bonds

About 1-fluoropropa-1,2-diene

1-fluoropropa-1,2-diene (PubChem CID 177486044) has the molecular formula C3HF+2 and a molecular weight of 56.04 g/mol. Its IUPAC name is 1-fluoropropa-1,2-diene.

Molecular Properties

Compound Name1-fluoropropa-1,2-diene
PubChem CID177486044
Molecular FormulaC3HF+2
Molecular Weight56.04 g/mol
Exact Mass56.01
IUPAC Name1-fluoropropa-1,2-diene
SMILES[CH+]=C=[C+]F
InChIInChI=1S/C3HF/c1-2-3-4/h1H/q+2
InChIKeyUZDWNOIFZSRQAX-UHFFFAOYSA-N
XLogP0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.04
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-Propadiene, 1-fluoro-
CID 637949
1,3-Difluoroallene
CID 12590904
1-Fluorobuta-1,2,3-triene
CID 22392513
1-Fluorohexapentaene
CID 71426861
1,3-Difluoropropa-1,2-diene
CID 101376862
1-Fluoropenta-1,2,3,4-tetraene
CID 160751581
1-Fluoropropa-1,2-diene;yttrium
CID 140873420
Lithium 1-deuterio-3-fluoropropa-1,2-diene
CID 71661941
1-Deuterio-3-fluoropropa-1,2-diene
CID 71661942
CID 101376857
CID 101376857

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropa-1,2-diene?
The IUPAC name of 1-fluoropropa-1,2-diene (CID 177486044) is 1-fluoropropa-1,2-diene.
What is the SMILES notation for 1-fluoropropa-1,2-diene?
The canonical SMILES for 1-fluoropropa-1,2-diene is [CH+]=C=[C+]F.
What is the InChIKey of 1-fluoropropa-1,2-diene?
The InChIKey is UZDWNOIFZSRQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF/c1-2-3-4/h1H/q+2.
What are the key properties of 1-fluoropropa-1,2-diene?
1-fluoropropa-1,2-diene has a molecular weight of 56.04 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropa-1,2-diene is sourced from PubChem (CID 177486044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).