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

C4H2F2 — CID 18757442

IUPAC1,1-difluorobuta-1,2,3-triene
SMILESC=C=C=C(F)F
InChIInChI=1S/C4H2F2/c1-2-3-4(5)6/h1H2
InChIKeyYFNZPKRLZBIKTA-UHFFFAOYSA-N
MW88.06 g/mol
LogP1.71
Rot. Bonds

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

1,1-difluorobuta-1,2,3-triene (PubChem CID 18757442) has the molecular formula C4H2F2 and a molecular weight of 88.06 g/mol. Its IUPAC name is 1,1-difluorobuta-1,2,3-triene.

Molecular Properties

Compound Name1,1-difluorobuta-1,2,3-triene
PubChem CID18757442
Molecular FormulaC4H2F2
Molecular Weight88.06 g/mol
Exact Mass88.01
IUPAC Name1,1-difluorobuta-1,2,3-triene
SMILESC=C=C=C(F)F
InChIInChI=1S/C4H2F2/c1-2-3-4(5)6/h1H2
InChIKeyYFNZPKRLZBIKTA-UHFFFAOYSA-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

Analyze 1,1-difluorobuta-1,2,3-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3,3-Tetrafluoropropene
CID 2776731
1,2,3,3,3-Pentafluoropropene
CID 111077
1,1-Difluoroethene with 1,1,2,3,3,3-hexafluoro-1-propene (1:1)
CID 16212781
(E)-1,2,3,3,3-Pentafluoroprop-1-ene
CID 6329539
1,1-Difluoro-1,2-propadiene
CID 136273
1,1,3-Trifluoropropadiene
CID 21718125
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2,2-tetrafluoroethene
CID 168318
(1Z)-1,2,3,3,3-Pentafluoro-1-propene
CID 5708673
4,4,4-Trifluorobuta-1,2-diene
CID 22159641
Vinylidene 1,1-difluoroethane
CID 15710920
1,1,3-Trifluoroprop-1-ene
CID 22956412
1,1,2,3-Tetrafluoro-1,3-butadiene
CID 23236060

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobuta-1,2,3-triene?
The IUPAC name of 1,1-difluorobuta-1,2,3-triene (CID 18757442) is 1,1-difluorobuta-1,2,3-triene.
What is the SMILES notation for 1,1-difluorobuta-1,2,3-triene?
The canonical SMILES for 1,1-difluorobuta-1,2,3-triene is C=C=C=C(F)F.
What is the InChIKey of 1,1-difluorobuta-1,2,3-triene?
The InChIKey is YFNZPKRLZBIKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2/c1-2-3-4(5)6/h1H2.
What are the key properties of 1,1-difluorobuta-1,2,3-triene?
1,1-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 1,1-difluorobuta-1,2,3-triene is sourced from PubChem (CID 18757442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).