1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane

C13H20F8O4 — CID 22164487

IUPAC1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane
SMILESCCOC(F)(F)C(C(F)(F)OCC)(C(F)(F)OCC)C(F)(F)OCC
InChIInChI=1S/C13H20F8O4/c1-5-22-10(14,15)9(11(16,17)23-6-2,12(18,19)24-7-3)13(20,21)25-8-4/h5-8H2,1-4H3
InChIKeyLRKJNRKCODMFDL-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.49
Rot. Bonds12

About 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane

1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane (PubChem CID 22164487) has the molecular formula C13H20F8O4 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane.

Molecular Properties

Compound Name1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane
PubChem CID22164487
Molecular FormulaC13H20F8O4
Molecular Weight392.28 g/mol
Exact Mass392.12
IUPAC Name1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane
SMILESCCOC(F)(F)C(C(F)(F)OCC)(C(F)(F)OCC)C(F)(F)OCC
InChIInChI=1S/C13H20F8O4/c1-5-22-10(14,15)9(11(16,17)23-6-2,12(18,19)24-7-3)13(20,21)25-8-4/h5-8H2,1-4H3
InChIKeyLRKJNRKCODMFDL-UHFFFAOYSA-N
XLogP4.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane?
The IUPAC name of 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane (CID 22164487) is 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane.
What is the SMILES notation for 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane?
The canonical SMILES for 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane is CCOC(F)(F)C(C(F)(F)OCC)(C(F)(F)OCC)C(F)(F)OCC.
What is the InChIKey of 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane?
The InChIKey is LRKJNRKCODMFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F8O4/c1-5-22-10(14,15)9(11(16,17)23-6-2,12(18,19)24-7-3)13(20,21)25-8-4/h5-8H2,1-4H3.
What are the key properties of 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane?
1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane has a molecular weight of 392.28 g/mol, XLogP of 4.49, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-2,2-bis[ethoxy(difluoro)methyl]-1,1,3,3-tetrafluoropropane is sourced from PubChem (CID 22164487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).