2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane

C7H3F13O — CID 23529537

IUPAC2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane
SMILESFCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15/h2H,1H2
InChIKeyXYODCOGPCQGVKJ-UHFFFAOYSA-N
MW350.07 g/mol
LogP4.33
Rot. Bonds5

About 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane

2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane (PubChem CID 23529537) has the molecular formula C7H3F13O and a molecular weight of 350.07 g/mol. Its IUPAC name is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane.

Molecular Properties

Compound Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane
PubChem CID23529537
Molecular FormulaC7H3F13O
Molecular Weight350.07 g/mol
Exact Mass350.00
IUPAC Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane
SMILESFCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15/h2H,1H2
InChIKeyXYODCOGPCQGVKJ-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
The IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane (CID 23529537) is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane.
What is the SMILES notation for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
The canonical SMILES for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane is FCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
The InChIKey is XYODCOGPCQGVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15/h2H,1H2.
What are the key properties of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane?
2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane has a molecular weight of 350.07 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane is sourced from PubChem (CID 23529537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).