1,1,3,3,3-pentafluoro-2-iodoprop-1-ene

C3F5I — CID 11807350

IUPAC1,1,3,3,3-pentafluoro-2-iodoprop-1-ene
SMILESFC(F)=C(I)C(F)(F)F
InChIInChI=1S/C3F5I/c4-2(5)1(9)3(6,7)8
InChIKeyXLJCQUUBIFJNCQ-UHFFFAOYSA-N
MW257.93 g/mol
LogP3.09
Rot. Bonds

About 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene

1,1,3,3,3-pentafluoro-2-iodoprop-1-ene (PubChem CID 11807350) has the molecular formula C3F5I and a molecular weight of 257.93 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoro-2-iodoprop-1-ene
PubChem CID11807350
Molecular FormulaC3F5I
Molecular Weight257.93 g/mol
Exact Mass257.90
IUPAC Name1,1,3,3,3-pentafluoro-2-iodoprop-1-ene
SMILESFC(F)=C(I)C(F)(F)F
InChIInChI=1S/C3F5I/c4-2(5)1(9)3(6,7)8
InChIKeyXLJCQUUBIFJNCQ-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.93
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene?
The IUPAC name of 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene (CID 11807350) is 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene.
What is the SMILES notation for 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene?
The canonical SMILES for 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene is FC(F)=C(I)C(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene?
The InChIKey is XLJCQUUBIFJNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F5I/c4-2(5)1(9)3(6,7)8.
What are the key properties of 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene?
1,1,3,3,3-pentafluoro-2-iodoprop-1-ene has a molecular weight of 257.93 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoro-2-iodoprop-1-ene is sourced from PubChem (CID 11807350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).