3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene

C5H3F4IO — CID 175578912

IUPAC3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene
SMILESC=COC(F)(F)C(F)=C(F)I
InChIInChI=1S/C5H3F4IO/c1-2-11-5(8,9)3(6)4(7)10/h2H,1H2
InChIKeyFRNDZWRQKDFAHB-UHFFFAOYSA-N
MW281.97 g/mol
LogP3.28
Rot. Bonds3

About 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene

3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene (PubChem CID 175578912) has the molecular formula C5H3F4IO and a molecular weight of 281.97 g/mol. Its IUPAC name is 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene.

Molecular Properties

Compound Name3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene
PubChem CID175578912
Molecular FormulaC5H3F4IO
Molecular Weight281.97 g/mol
Exact Mass281.92
IUPAC Name3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene
SMILESC=COC(F)(F)C(F)=C(F)I
InChIInChI=1S/C5H3F4IO/c1-2-11-5(8,9)3(6)4(7)10/h2H,1H2
InChIKeyFRNDZWRQKDFAHB-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.97
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene?
The IUPAC name of 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene (CID 175578912) is 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene.
What is the SMILES notation for 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene?
The canonical SMILES for 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene is C=COC(F)(F)C(F)=C(F)I.
What is the InChIKey of 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene?
The InChIKey is FRNDZWRQKDFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4IO/c1-2-11-5(8,9)3(6)4(7)10/h2H,1H2.
What are the key properties of 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene?
3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene has a molecular weight of 281.97 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene is sourced from PubChem (CID 175578912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).