3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene

C5F10O2 — CID 118879103

IUPAC3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C5F10O2/c6-1(2(7)8)3(9,10)16-5(14,15)17-4(11,12)13
InChIKeyRSBPIOXLCHIOBP-UHFFFAOYSA-N
MW282.03 g/mol
LogP3.76
Rot. Bonds4

About 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene

3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene (PubChem CID 118879103) has the molecular formula C5F10O2 and a molecular weight of 282.03 g/mol. Its IUPAC name is 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene
PubChem CID118879103
Molecular FormulaC5F10O2
Molecular Weight282.03 g/mol
Exact Mass281.97
IUPAC Name3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C5F10O2/c6-1(2(7)8)3(9,10)16-5(14,15)17-4(11,12)13
InChIKeyRSBPIOXLCHIOBP-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.03
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
The IUPAC name of 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene (CID 118879103) is 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene is FC(F)=C(F)C(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
The InChIKey is RSBPIOXLCHIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O2/c6-1(2(7)8)3(9,10)16-5(14,15)17-4(11,12)13.
What are the key properties of 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene?
3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene has a molecular weight of 282.03 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 118879103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).