3,4,4-trifluorobuta-1,2-diene

C4H3F3 — CID 54281679

IUPAC3,4,4-trifluorobuta-1,2-diene
SMILESC=C=C(F)C(F)F
InChIInChI=1S/C4H3F3/c1-2-3(5)4(6)7/h4H,1H2
InChIKeyIBQCNFCEQHOXPH-UHFFFAOYSA-N
MW108.06 g/mol
LogP1.89
Rot. Bonds1

About 3,4,4-trifluorobuta-1,2-diene

3,4,4-trifluorobuta-1,2-diene (PubChem CID 54281679) has the molecular formula C4H3F3 and a molecular weight of 108.06 g/mol. Its IUPAC name is 3,4,4-trifluorobuta-1,2-diene.

Molecular Properties

Compound Name3,4,4-trifluorobuta-1,2-diene
PubChem CID54281679
Molecular FormulaC4H3F3
Molecular Weight108.06 g/mol
Exact Mass108.02
IUPAC Name3,4,4-trifluorobuta-1,2-diene
SMILESC=C=C(F)C(F)F
InChIInChI=1S/C4H3F3/c1-2-3(5)4(6)7/h4H,1H2
InChIKeyIBQCNFCEQHOXPH-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

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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 3,4,4-trifluorobuta-1,2-diene?
The IUPAC name of 3,4,4-trifluorobuta-1,2-diene (CID 54281679) is 3,4,4-trifluorobuta-1,2-diene.
What is the SMILES notation for 3,4,4-trifluorobuta-1,2-diene?
The canonical SMILES for 3,4,4-trifluorobuta-1,2-diene is C=C=C(F)C(F)F.
What is the InChIKey of 3,4,4-trifluorobuta-1,2-diene?
The InChIKey is IBQCNFCEQHOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3/c1-2-3(5)4(6)7/h4H,1H2.
What are the key properties of 3,4,4-trifluorobuta-1,2-diene?
3,4,4-trifluorobuta-1,2-diene has a molecular weight of 108.06 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluorobuta-1,2-diene is sourced from PubChem (CID 54281679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).