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

C5H2F8 — CID 74023403

IUPAC1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene
SMILESFC=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8/c6-2-1-3(7,4(8,9)10)5(11,12)13/h1-2H
InChIKeySKQJYUPAFGVYKS-UHFFFAOYSA-N
MW214.06 g/mol
LogP3.30
Rot. Bonds1

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

1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene (PubChem CID 74023403) has the molecular formula C5H2F8 and a molecular weight of 214.06 g/mol. Its IUPAC name is 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene
PubChem CID74023403
Molecular FormulaC5H2F8
Molecular Weight214.06 g/mol
Exact Mass214.00
IUPAC Name1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene
SMILESFC=CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F8/c6-2-1-3(7,4(8,9)10)5(11,12)13/h1-2H
InChIKeySKQJYUPAFGVYKS-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 2777831
(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
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482

Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene?
The IUPAC name of 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene (CID 74023403) is 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene is FC=CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene?
The InChIKey is SKQJYUPAFGVYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F8/c6-2-1-3(7,4(8,9)10)5(11,12)13/h1-2H.
What are the key properties of 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene?
1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene has a molecular weight of 214.06 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 74023403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).