1-fluorobuta-1,2,3-triene

C4H3F — CID 22392513

IUPAC1-fluorobuta-1,2,3-triene
SMILESC=C=C=CF
InChIInChI=1S/C4H3F/c1-2-3-4-5/h4H,1H2
InChIKeyPKBXXIJDESMGDN-UHFFFAOYSA-N
MW70.07 g/mol
LogP1.41
Rot. Bonds

About 1-fluorobuta-1,2,3-triene

1-fluorobuta-1,2,3-triene (PubChem CID 22392513) has the molecular formula C4H3F and a molecular weight of 70.07 g/mol. Its IUPAC name is 1-fluorobuta-1,2,3-triene.

Molecular Properties

Compound Name1-fluorobuta-1,2,3-triene
PubChem CID22392513
Molecular FormulaC4H3F
Molecular Weight70.07 g/mol
Exact Mass70.02
IUPAC Name1-fluorobuta-1,2,3-triene
SMILESC=C=C=CF
InChIInChI=1S/C4H3F/c1-2-3-4-5/h4H,1H2
InChIKeyPKBXXIJDESMGDN-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.07
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-Propadiene, 1-fluoro-
CID 637949
1,4-Difluorobuta-1,2,3-triene
CID 102573056
1-Fluorooctaheptaene
CID 71426856
1-Fluorohexapentaene
CID 71426861
1,6-Difluorohexa-1,2,3,4,5-pentaene
CID 102573057
1-Fluoropenta-1,2,3,4-tetraene
CID 160751581
1-Fluoropropa-1,2-diene
CID 177486044
1-Deuterio-3-fluoropropa-1,2-diene
CID 71661942

Frequently Asked Questions

What is the IUPAC name of 1-fluorobuta-1,2,3-triene?
The IUPAC name of 1-fluorobuta-1,2,3-triene (CID 22392513) is 1-fluorobuta-1,2,3-triene.
What is the SMILES notation for 1-fluorobuta-1,2,3-triene?
The canonical SMILES for 1-fluorobuta-1,2,3-triene is C=C=C=CF.
What is the InChIKey of 1-fluorobuta-1,2,3-triene?
The InChIKey is PKBXXIJDESMGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F/c1-2-3-4-5/h4H,1H2.
What are the key properties of 1-fluorobuta-1,2,3-triene?
1-fluorobuta-1,2,3-triene has a molecular weight of 70.07 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobuta-1,2,3-triene is sourced from PubChem (CID 22392513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).