1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane

C7H8F8O2 — CID 87287129

IUPAC1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane
SMILESCCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC
InChIInChI=1S/C7H8F8O2/c1-3-4(8,9)17-7(14,15)5(10,11)6(12,13)16-2/h3H2,1-2H3
InChIKeyQKYGHEWODZLFRU-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.47
Rot. Bonds6

About 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane

1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane (PubChem CID 87287129) has the molecular formula C7H8F8O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane.

Molecular Properties

Compound Name1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane
PubChem CID87287129
Molecular FormulaC7H8F8O2
Molecular Weight276.12 g/mol
Exact Mass276.04
IUPAC Name1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane
SMILESCCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC
InChIInChI=1S/C7H8F8O2/c1-3-4(8,9)17-7(14,15)5(10,11)6(12,13)16-2/h3H2,1-2H3
InChIKeyQKYGHEWODZLFRU-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane?
The IUPAC name of 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane (CID 87287129) is 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane.
What is the SMILES notation for 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane?
The canonical SMILES for 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane is CCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC.
What is the InChIKey of 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane?
The InChIKey is QKYGHEWODZLFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8O2/c1-3-4(8,9)17-7(14,15)5(10,11)6(12,13)16-2/h3H2,1-2H3.
What are the key properties of 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane?
1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane has a molecular weight of 276.12 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropoxy)-1,1,2,2,3,3-hexafluoro-3-methoxypropane is sourced from PubChem (CID 87287129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).