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

C8H5F13O — CID 118403612

IUPAC2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
SMILESFC(CC(C(F)(F)F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c9-3(6(15,16)17)1-2(5(12,13)14)7(18,19)22-8(20,21)4(10)11/h2-4H,1H2
InChIKeyUQPLAUYYISNBHE-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.92
Rot. Bonds6

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

2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane (PubChem CID 118403612) has the molecular formula C8H5F13O and a molecular weight of 364.10 g/mol. Its IUPAC name is 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane.

Molecular Properties

Compound Name2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
PubChem CID118403612
Molecular FormulaC8H5F13O
Molecular Weight364.10 g/mol
Exact Mass364.01
IUPAC Name2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
SMILESFC(CC(C(F)(F)F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c9-3(6(15,16)17)1-2(5(12,13)14)7(18,19)22-8(20,21)4(10)11/h2-4H,1H2
InChIKeyUQPLAUYYISNBHE-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane
CID 91694313
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
CID 23557659
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;fluoromethane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane
CID 54199223
2-[Difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane
CID 58451690
1,1,1,2,3,4,5,5,5-Nonafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pentane
CID 58537746
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)-4-(trifluoromethyl)pentane
CID 58537761
1,1,1,4,4-Pentafluoro-4-[1,1,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
CID 87137069
1-Ethoxy-1,1,2,2,3,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
CID 87408698
1,1,1,2,3,3,4,4,5,5-Decafluoro-5-propoxy-2-(trifluoromethyl)pentane
CID 87408707
2-[Difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
CID 87992371
1-(1,1-Difluoro-4-methylpentoxy)-1,1-difluoro-4-methylpentane
CID 122638131

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane?
The IUPAC name of 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane (CID 118403612) is 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane.
What is the SMILES notation for 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane?
The canonical SMILES for 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane is FC(CC(C(F)(F)F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane?
The InChIKey is UQPLAUYYISNBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O/c9-3(6(15,16)17)1-2(5(12,13)14)7(18,19)22-8(20,21)4(10)11/h2-4H,1H2.
What are the key properties of 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane?
2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane has a molecular weight of 364.10 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1,1,2,2-tetrafluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane is sourced from PubChem (CID 118403612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).