[fluoro-iodo-(trifluoromethoxy)methoxy]ethene

C4H3F4IO2 — CID 172863959

IUPAC[fluoro-iodo-(trifluoromethoxy)methoxy]ethene
SMILESC=COC(F)(I)OC(F)(F)F
InChIInChI=1S/C4H3F4IO2/c1-2-10-4(8,9)11-3(5,6)7/h2H,1H2
InChIKeyZSQJLLNEWJQWJW-UHFFFAOYSA-N
MW285.96 g/mol
LogP2.70
Rot. Bonds3

About [fluoro-iodo-(trifluoromethoxy)methoxy]ethene

[fluoro-iodo-(trifluoromethoxy)methoxy]ethene (PubChem CID 172863959) has the molecular formula C4H3F4IO2 and a molecular weight of 285.96 g/mol. Its IUPAC name is [fluoro-iodo-(trifluoromethoxy)methoxy]ethene.

Molecular Properties

Compound Name[fluoro-iodo-(trifluoromethoxy)methoxy]ethene
PubChem CID172863959
Molecular FormulaC4H3F4IO2
Molecular Weight285.96 g/mol
Exact Mass285.91
IUPAC Name[fluoro-iodo-(trifluoromethoxy)methoxy]ethene
SMILESC=COC(F)(I)OC(F)(F)F
InChIInChI=1S/C4H3F4IO2/c1-2-10-4(8,9)11-3(5,6)7/h2H,1H2
InChIKeyZSQJLLNEWJQWJW-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.96
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;trifluoromethoxyethene
CID 175150293
3-ethenoxy-1,2,3,3-tetrafluoro-1-iodoprop-1-ene
CID 175578912
1-ethenoxy-1,1,3,3,3-pentafluoropropane
CID 87600810
trifluoromethylperoxyethene
CID 87620739
1-ethenoxy-1,2,2,2-tetrafluoro-1-methoxyethane
CID 87288229
1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane
CID 118909864
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169
benzaldehyde;trifluoromethoxyethene
CID 174453379
1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene
CID 123277192
1-ethenoxy-1,1,2,2-tetrafluoroethane;sulfuryl difluoride
CID 87438689
ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane
CID 175354998
tris(fluoromethoxy)methoxyethene
CID 174924408

Frequently Asked Questions

What is the IUPAC name of [fluoro-iodo-(trifluoromethoxy)methoxy]ethene?
The IUPAC name of [fluoro-iodo-(trifluoromethoxy)methoxy]ethene (CID 172863959) is [fluoro-iodo-(trifluoromethoxy)methoxy]ethene.
What is the SMILES notation for [fluoro-iodo-(trifluoromethoxy)methoxy]ethene?
The canonical SMILES for [fluoro-iodo-(trifluoromethoxy)methoxy]ethene is C=COC(F)(I)OC(F)(F)F.
What is the InChIKey of [fluoro-iodo-(trifluoromethoxy)methoxy]ethene?
The InChIKey is ZSQJLLNEWJQWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4IO2/c1-2-10-4(8,9)11-3(5,6)7/h2H,1H2.
What are the key properties of [fluoro-iodo-(trifluoromethoxy)methoxy]ethene?
[fluoro-iodo-(trifluoromethoxy)methoxy]ethene has a molecular weight of 285.96 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro-iodo-(trifluoromethoxy)methoxy]ethene is sourced from PubChem (CID 172863959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).