(Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene

C4H2F5I — CID 23234733

IUPAC(Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene
SMILESFC(F)(F)C(F)(F)/C=C\I
InChIInChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H/b2-1-
InChIKeyRGMOTVZOASYAQV-UPHRSURJSA-N
MW271.95 g/mol
LogP3.13
Rot. Bonds1

About (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene

(Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene (PubChem CID 23234733) has the molecular formula C4H2F5I and a molecular weight of 271.95 g/mol. Its IUPAC name is (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene.

Molecular Properties

Compound Name(Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene
PubChem CID23234733
Molecular FormulaC4H2F5I
Molecular Weight271.95 g/mol
Exact Mass271.91
IUPAC Name(Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene
SMILESFC(F)(F)C(F)(F)/C=C\I
InChIInChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H/b2-1-
InChIKeyRGMOTVZOASYAQV-UPHRSURJSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
The IUPAC name of (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene (CID 23234733) is (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene.
What is the SMILES notation for (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
The canonical SMILES for (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene is FC(F)(F)C(F)(F)/C=C\I.
What is the InChIKey of (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
The InChIKey is RGMOTVZOASYAQV-UPHRSURJSA-N. The full InChI is InChI=1S/C4H2F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H/b2-1-.
What are the key properties of (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene?
(Z)-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 (Z)-3,3,4,4,4-pentafluoro-1-iodobut-1-ene is sourced from PubChem (CID 23234733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).