3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene

C5H3F7 — CID 2777831

IUPAC3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
SMILESC=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H,1H2
InChIKeyYOIHZDOLVJDWDY-UHFFFAOYSA-N
MW196.06 g/mol
LogP3.01
Rot. Bonds1

About 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene

3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene (PubChem CID 2777831) has the molecular formula C5H3F7 and a molecular weight of 196.06 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
PubChem CID2777831
Molecular FormulaC5H3F7
Molecular Weight196.06 g/mol
Exact Mass196.01
IUPAC Name3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene
SMILESC=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H,1H2
InChIKeyYOIHZDOLVJDWDY-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
CID 88054
3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
(1E)-3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 5378967
3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 629495
(1Z)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 23233249
(1E)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 23233250
1,1,3,4,4,4-Hexafluoro-3-(trifluoromethyl)but-1-ene
CID 54420071
3,3,4,4-Tetrafluorocyclobutene
CID 11948316
1,1,3,3,4,4,4-Heptafluoro-1-butene
CID 21096859
1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 74023403
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene (CID 2777831) is 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene is C=CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
The InChIKey is YOIHZDOLVJDWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7/c1-2-3(6,4(7,8)9)5(10,11)12/h2H,1H2.
What are the key properties of 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene?
3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene has a molecular weight of 196.06 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 2777831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).