1,4-difluorobuta-1,2,3-triene

C4H2F2 — CID 102573056

IUPAC1,4-difluorobuta-1,2,3-triene
SMILESFC=C=C=CF
InChIInChI=1S/C4H2F2/c5-3-1-2-4-6/h3-4H/b4-3+
InChIKeyFZKLDDHBCYMJDX-ONEGZZNKSA-N
MW88.06 g/mol
LogP1.71
Rot. Bonds

About 1,4-difluorobuta-1,2,3-triene

1,4-difluorobuta-1,2,3-triene (PubChem CID 102573056) has the molecular formula C4H2F2 and a molecular weight of 88.06 g/mol. Its IUPAC name is 1,4-difluorobuta-1,2,3-triene.

Molecular Properties

Compound Name1,4-difluorobuta-1,2,3-triene
PubChem CID102573056
Molecular FormulaC4H2F2
Molecular Weight88.06 g/mol
Exact Mass88.01
IUPAC Name1,4-difluorobuta-1,2,3-triene
SMILESFC=C=C=CF
InChIInChI=1S/C4H2F2/c5-3-1-2-4-6/h3-4H/b4-3+
InChIKeyFZKLDDHBCYMJDX-ONEGZZNKSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.06
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-Difluoroethene with 1,1,2,3,3,3-hexafluoro-1-propene (1:1)
CID 16212781
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
CID 168318
1,3-Difluoroallene
CID 12590904
4,4,4-Trifluorobuta-1,2-diene
CID 22159641
1,1-Difluoroethene;1,1,2,3,3-pentafluoroprop-1-ene
CID 87126106
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2-trifluoroethene
CID 87987752
1,1-Difluorobuta-1,2,3-triene
CID 18757442
6,7-Difluorohepta-1,2,3,4,5-pentaene
CID 20708571
1,1-Difluorohexa-1,2,3,4,5-pentaene
CID 21365032
5,5,5-Trifluoropenta-1,2,3-triene
CID 21645020
2,3-Difluorobuta-1,3-diene
CID 21932375
1-Fluorobuta-1,2,3-triene
CID 22392513

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobuta-1,2,3-triene?
The IUPAC name of 1,4-difluorobuta-1,2,3-triene (CID 102573056) is 1,4-difluorobuta-1,2,3-triene.
What is the SMILES notation for 1,4-difluorobuta-1,2,3-triene?
The canonical SMILES for 1,4-difluorobuta-1,2,3-triene is FC=C=C=CF.
What is the InChIKey of 1,4-difluorobuta-1,2,3-triene?
The InChIKey is FZKLDDHBCYMJDX-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H2F2/c5-3-1-2-4-6/h3-4H/b4-3+.
What are the key properties of 1,4-difluorobuta-1,2,3-triene?
1,4-difluorobuta-1,2,3-triene has a molecular weight of 88.06 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobuta-1,2,3-triene is sourced from PubChem (CID 102573056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).