3,3,4,4,4-pentafluoro-1-iodobut-1-ene

C4H2F5I — CID 2782555

IUPAC3,3,4,4,4-pentafluoro-1-iodobut-1-ene
SMILESFC(F)(F)C(F)(F)C=CI
InChIInChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H
InChIKeyRGMOTVZOASYAQV-UHFFFAOYSA-N
MW271.95 g/mol
LogP3.13
Rot. Bonds1

About 3,3,4,4,4-pentafluoro-1-iodobut-1-ene

3,3,4,4,4-pentafluoro-1-iodobut-1-ene (PubChem CID 2782555) has the molecular formula C4H2F5I and a molecular weight of 271.95 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluoro-1-iodobut-1-ene.

Molecular Properties

Compound Name3,3,4,4,4-pentafluoro-1-iodobut-1-ene
PubChem CID2782555
Molecular FormulaC4H2F5I
Molecular Weight271.95 g/mol
Exact Mass271.91
IUPAC Name3,3,4,4,4-pentafluoro-1-iodobut-1-ene
SMILESFC(F)(F)C(F)(F)C=CI
InChIInChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H
InChIKeyRGMOTVZOASYAQV-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.95
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
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
(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
3,4,4,4-Tetrafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
CID 629495
1,1-Difluoro-4-iodo-but-1-ene
CID 21850593
3,3,4,4,5,5-Hexafluoro-5-iodopent-1-ene
CID 118452981
3,3,4,4-Tetrafluoro-6-iodohex-1-ene
CID 555867
3,4,4,5,5,5-Hexafluoro-3-trifluoromethyl-1-iodo-1-pentene
CID 5379545
3,3,4,4,4-Pentafluoro-1-iodobut-1-ene
CID 5709617

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
The IUPAC name of 3,3,4,4,4-pentafluoro-1-iodobut-1-ene (CID 2782555) is 3,3,4,4,4-pentafluoro-1-iodobut-1-ene.
What is the SMILES notation for 3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
The canonical SMILES for 3,3,4,4,4-pentafluoro-1-iodobut-1-ene is FC(F)(F)C(F)(F)C=CI.
What is the InChIKey of 3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
The InChIKey is RGMOTVZOASYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H.
What are the key properties of 3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
3,3,4,4,4-pentafluoro-1-iodobut-1-ene has a molecular weight of 271.95 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluoro-1-iodobut-1-ene is sourced from PubChem (CID 2782555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).