4,4,4-trifluorobuta-1,2-diene

C4H3F3 — CID 22159641

IUPAC4,4,4-trifluorobuta-1,2-diene
SMILESC=C=CC(F)(F)F
InChIInChI=1S/C4H3F3/c1-2-3-4(5,6)7/h3H,1H2
InChIKeyBAHJWIMBPOIILA-UHFFFAOYSA-N
MW108.06 g/mol
LogP1.89
Rot. Bonds

About 4,4,4-trifluorobuta-1,2-diene

4,4,4-trifluorobuta-1,2-diene (PubChem CID 22159641) has the molecular formula C4H3F3 and a molecular weight of 108.06 g/mol. Its IUPAC name is 4,4,4-trifluorobuta-1,2-diene.

Molecular Properties

Compound Name4,4,4-trifluorobuta-1,2-diene
PubChem CID22159641
Molecular FormulaC4H3F3
Molecular Weight108.06 g/mol
Exact Mass108.02
IUPAC Name4,4,4-trifluorobuta-1,2-diene
SMILESC=C=CC(F)(F)F
InChIInChI=1S/C4H3F3/c1-2-3-4(5,6)7/h3H,1H2
InChIKeyBAHJWIMBPOIILA-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.06
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,4,4-trifluorobuta-1,2-diene 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

3,3,3-Trifluoropropene
CID 12672
1,1,3,3,3-Pentafluoropropene
CID 69647
1,1-Difluoroethene with 1,1,2,3,3,3-hexafluoro-1-propene (1:1)
CID 16212781
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
1,1,1,2,4,4,4-Heptafluoro-2-butene
CID 5708514
1,1,4,4-Tetrafluoro-1,3-butadiene
CID 136257
Alkenes, C4-20 alpha-, gamma-omega-perfluoro
CID 109645
1,1,2,4,4-Pentafluoro-1,3-butadiene
CID 19748036
(E)-1,1,1,3,4,4,4-Heptafluoro-2-butene
CID 6110611
Vinylidene 1,1-difluoroethane
CID 15710920

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobuta-1,2-diene?
The IUPAC name of 4,4,4-trifluorobuta-1,2-diene (CID 22159641) is 4,4,4-trifluorobuta-1,2-diene.
What is the SMILES notation for 4,4,4-trifluorobuta-1,2-diene?
The canonical SMILES for 4,4,4-trifluorobuta-1,2-diene is C=C=CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobuta-1,2-diene?
The InChIKey is BAHJWIMBPOIILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3/c1-2-3-4(5,6)7/h3H,1H2.
What are the key properties of 4,4,4-trifluorobuta-1,2-diene?
4,4,4-trifluorobuta-1,2-diene has a molecular weight of 108.06 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobuta-1,2-diene is sourced from PubChem (CID 22159641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).