4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene

C5H2F6 — CID 13267239

IUPAC4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene
SMILESC=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6/c1-2-3(4(6,7)8)5(9,10)11/h1H2
InChIKeyKUXILIZZMQHNQQ-UHFFFAOYSA-N
MW176.06 g/mol
LogP2.82
Rot. Bonds

About 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene

4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene (PubChem CID 13267239) has the molecular formula C5H2F6 and a molecular weight of 176.06 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene
PubChem CID13267239
Molecular FormulaC5H2F6
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene
SMILESC=C=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F6/c1-2-3(4(6,7)8)5(9,10)11/h1H2
InChIKeyKUXILIZZMQHNQQ-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,3-Trifluoro-2-(trifluoromethyl)-1-propene
CID 91450
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
3H-Perfluoro-2-butene
CID 11053485
1,3,3,3-Tetrafluoro-2-(trifluoromethyl)propene
CID 12633092
1,1,1,5,5,5-Hexafluoro-4-trifluoromethylpenta-2,3-diene
CID 15311657
1,1,3,3,3-Pentafluoro-2-methylprop-1-ene
CID 23233487
1,1,3,3,3-Pentafluoro-2-(fluoromethyl)-1-propene
CID 11480623
Tetrafluoro-2-(trifluoromethyl) propene
CID 20496975
1,1-Difluoroethene;1,1,2,3,3-pentafluoroprop-1-ene
CID 87126106
1,1-Difluoroethene;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
CID 87333662
1,1-Difluoroethene;1,1,2,3,3,3-hexafluoroprop-1-ene;1,1,2-trifluoroethene
CID 87987752

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene?
The IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene (CID 13267239) is 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene.
What is the SMILES notation for 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene?
The canonical SMILES for 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene is C=C=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene?
The InChIKey is KUXILIZZMQHNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6/c1-2-3(4(6,7)8)5(9,10)11/h1H2.
What are the key properties of 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene?
4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene has a molecular weight of 176.06 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(trifluoromethyl)buta-1,2-diene is sourced from PubChem (CID 13267239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).