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

C5H2F7I — CID 629495

IUPAC3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
SMILESFC(F)(F)C(F)(C=CI)C(F)(F)F
InChIInChI=1S/C5H2F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H
InChIKeyYSIHFHRTEHLZRU-UHFFFAOYSA-N
MW321.96 g/mol
LogP3.77
Rot. Bonds1

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

3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene (PubChem CID 629495) has the molecular formula C5H2F7I and a molecular weight of 321.96 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
PubChem CID629495
Molecular FormulaC5H2F7I
Molecular Weight321.96 g/mol
Exact Mass321.91
IUPAC Name3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
SMILESFC(F)(F)C(F)(C=CI)C(F)(F)F
InChIInChI=1S/C5H2F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H
InChIKeyYSIHFHRTEHLZRU-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.96
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6-Octafluoro-6-iodohex-1-ene
CID 15828065
3,3,4,4-Tetrafluoro-4-iodo-1-butene
CID 118555
3,4,4,4-Tetrafluoro-3-(trifluoromethyl)but-1-ene
CID 2777831
(1E)-3,3,4,4,5,5,5-Heptafluoro-1-iodopent-1-ene
CID 5375711
(1E)-3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 5378967
3,3,4,4,5,5,5-Heptafluoro-1-iodo-1-pentene
CID 609138
(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
1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene
CID 74023403
3,3,4,4,5,5-Hexafluoro-5-iodopent-1-ene
CID 118452981
3,3,4,4,4-Pentafluoro-1-iodo-1-butene
CID 2782555
3,4,4,5,5,5-Hexafluoro-3-trifluoromethyl-1-iodo-1-pentene
CID 5379545

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene (CID 629495) is 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene is FC(F)(F)C(F)(C=CI)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene?
The InChIKey is YSIHFHRTEHLZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H.
What are the key properties of 3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene?
3,4,4,4-tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene has a molecular weight of 321.96 g/mol, XLogP of 3.77, 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-1-iodo-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 629495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).