1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane

C11H14F8O3 — CID 167003021

IUPAC1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OCC(F)C(F)(F)OCCC(F)(F)OCC
InChIInChI=1S/C11H14F8O3/c1-3-20-9(14,15)4-5-21-11(18,19)8(13)6-22-10(16,17)7(2)12/h8H,2-6H2,1H3
InChIKeyDZVPZDCCALNZQM-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.05
Rot. Bonds11

About 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane

1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 167003021) has the molecular formula C11H14F8O3 and a molecular weight of 346.21 g/mol. Its IUPAC name is 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID167003021
Molecular FormulaC11H14F8O3
Molecular Weight346.21 g/mol
Exact Mass346.08
IUPAC Name1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OCC(F)C(F)(F)OCCC(F)(F)OCC
InChIInChI=1S/C11H14F8O3/c1-3-20-9(14,15)4-5-21-11(18,19)8(13)6-22-10(16,17)7(2)12/h8H,2-6H2,1H3
InChIKeyDZVPZDCCALNZQM-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane (CID 167003021) is 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OCC(F)C(F)(F)OCCC(F)(F)OCC.
What is the InChIKey of 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is DZVPZDCCALNZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F8O3/c1-3-20-9(14,15)4-5-21-11(18,19)8(13)6-22-10(16,17)7(2)12/h8H,2-6H2,1H3.
What are the key properties of 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane?
1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 346.21 g/mol, XLogP of 4.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 167003021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).