1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane

C8H8F10O2 — CID 58114581

IUPAC1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane
SMILESCCC(F)(F)OC(OC(F)(F)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F10O2/c1-2-6(12,13)19-4(8(16,17)18)20-7(14,15)3-5(9,10)11/h4H,2-3H2,1H3
InChIKeyONCSHJPHNNWUGU-UHFFFAOYSA-N
MW326.13 g/mol
LogP4.46
Rot. Bonds6

About 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane

1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane (PubChem CID 58114581) has the molecular formula C8H8F10O2 and a molecular weight of 326.13 g/mol. Its IUPAC name is 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane.

Molecular Properties

Compound Name1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane
PubChem CID58114581
Molecular FormulaC8H8F10O2
Molecular Weight326.13 g/mol
Exact Mass326.04
IUPAC Name1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane
SMILESCCC(F)(F)OC(OC(F)(F)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F10O2/c1-2-6(12,13)19-4(8(16,17)18)20-7(14,15)3-5(9,10)11/h4H,2-3H2,1H3
InChIKeyONCSHJPHNNWUGU-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.46
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 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane?
The IUPAC name of 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane (CID 58114581) is 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane.
What is the SMILES notation for 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane?
The canonical SMILES for 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane is CCC(F)(F)OC(OC(F)(F)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane?
The InChIKey is ONCSHJPHNNWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O2/c1-2-6(12,13)19-4(8(16,17)18)20-7(14,15)3-5(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane?
1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane has a molecular weight of 326.13 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane is sourced from PubChem (CID 58114581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).