1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene

C4F8O2 — CID 71405026

IUPAC1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C4F8O2/c5-1(6)2(7)13-4(11,12)14-3(8,9)10
InChIKeyPODVJTKDNVRRMS-UHFFFAOYSA-N
MW232.03 g/mol
LogP3.12
Rot. Bonds3

About 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene

1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene (PubChem CID 71405026) has the molecular formula C4F8O2 and a molecular weight of 232.03 g/mol. Its IUPAC name is 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene.

Molecular Properties

Compound Name1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
PubChem CID71405026
Molecular FormulaC4F8O2
Molecular Weight232.03 g/mol
Exact Mass231.98
IUPAC Name1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
SMILESFC(F)=C(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C4F8O2/c5-1(6)2(7)13-4(11,12)14-3(8,9)10
InChIKeyPODVJTKDNVRRMS-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[[[[[difluoro(1,2,2-trifluoroethenoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 175843113
1-[2-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
CID 175691538
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
CID 175694142
1,2-difluoro-1,2-bis(trifluoromethoxy)ethene
CID 86055919
1,1,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethane
CID 14150208
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
3-[difluoro(trifluoromethoxy)methoxy]-2,3,3-trifluoroprop-1-ene
CID 175944751
(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene
CID 87774691
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,2,2,3,3-hexafluoro-1-(1,2,2-trifluoroethenoxy)propane
CID 6365941
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene?
The IUPAC name of 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene (CID 71405026) is 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene.
What is the SMILES notation for 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene?
The canonical SMILES for 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene is FC(F)=C(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene?
The InChIKey is PODVJTKDNVRRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O2/c5-1(6)2(7)13-4(11,12)14-3(8,9)10.
What are the key properties of 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene?
1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene has a molecular weight of 232.03 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene is sourced from PubChem (CID 71405026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).