2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane

C16H34F4O4 — CID 158702191

IUPAC2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane
SMILESCC(C)OCC(F)F.CC(C)OCCF.COC(F)COC(C)C
InChIInChI=1S/C6H13FO2.C5H10F2O.C5H11FO/c1-5(2)9-4-6(7)8-3;1-4(2)8-3-5(6)7;1-5(2)7-4-3-6/h5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyIHRHOVFCWAQXCN-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.41
Rot. Bonds10

About 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane

2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane (PubChem CID 158702191) has the molecular formula C16H34F4O4 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane
PubChem CID158702191
Molecular FormulaC16H34F4O4
Molecular Weight366.44 g/mol
Exact Mass366.24
IUPAC Name2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane
SMILESCC(C)OCC(F)F.CC(C)OCCF.COC(F)COC(C)C
InChIInChI=1S/C6H13FO2.C5H10F2O.C5H11FO/c1-5(2)9-4-6(7)8-3;1-4(2)8-3-5(6)7;1-5(2)7-4-3-6/h5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyIHRHOVFCWAQXCN-UHFFFAOYSA-N
XLogP4.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane?
The IUPAC name of 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane (CID 158702191) is 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane.
What is the SMILES notation for 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane?
The canonical SMILES for 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane is CC(C)OCC(F)F.CC(C)OCCF.COC(F)COC(C)C.
What is the InChIKey of 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane?
The InChIKey is IHRHOVFCWAQXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2.C5H10F2O.C5H11FO/c1-5(2)9-4-6(7)8-3;1-4(2)8-3-5(6)7;1-5(2)7-4-3-6/h5-6H,4H2,1-3H3;4-5H,3H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane?
2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane has a molecular weight of 366.44 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)propane;2-(2-fluoroethoxy)propane;2-(2-fluoro-2-methoxyethoxy)propane is sourced from PubChem (CID 158702191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).