2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane

C8H6F12O — CID 23557659

IUPAC2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
SMILESFCC(F)(F)OC(F)(F)C(CC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c9-2-5(11,12)21-8(19,20)3(6(13,14)15)1-4(10)7(16,17)18/h3-4H,1-2H2
InChIKeyIABGBYOIYRUCDU-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.63
Rot. Bonds6

About 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane

2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane (PubChem CID 23557659) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane.

Molecular Properties

Compound Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
PubChem CID23557659
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
SMILESFCC(F)(F)OC(F)(F)C(CC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c9-2-5(11,12)21-8(19,20)3(6(13,14)15)1-4(10)7(16,17)18/h3-4H,1-2H2
InChIKeyIABGBYOIYRUCDU-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.63
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]-1,1,1,4,5,5,5-heptafluoropentane?
The IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane (CID 23557659) is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane.
What is the SMILES notation for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane?
The canonical SMILES for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane is FCC(F)(F)OC(F)(F)C(CC(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane?
The InChIKey is IABGBYOIYRUCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c9-2-5(11,12)21-8(19,20)3(6(13,14)15)1-4(10)7(16,17)18/h3-4H,1-2H2.
What are the key properties of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane?
2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane has a molecular weight of 346.11 g/mol, XLogP of 4.63, 6 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]-1,1,1,4,5,5,5-heptafluoropentane is sourced from PubChem (CID 23557659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).