1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane

C7H10F6O — CID 23534925

IUPAC1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane
SMILESFCCCCC(F)(F)OC(F)(F)CF
InChIInChI=1S/C7H10F6O/c8-4-2-1-3-6(10,11)14-7(12,13)5-9/h1-5H2
InChIKeyWDLJXIIXLMWBPG-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.30
Rot. Bonds7

About 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane

1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane (PubChem CID 23534925) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane
PubChem CID23534925
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane
SMILESFCCCCC(F)(F)OC(F)(F)CF
InChIInChI=1S/C7H10F6O/c8-4-2-1-3-6(10,11)14-7(12,13)5-9/h1-5H2
InChIKeyWDLJXIIXLMWBPG-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
2,2,6,6-Tetrafluorotetrahydropyrane
CID 129670295
1,1,1,2,2-Pentafluoro-5-(4,4,5,5,5-pentafluoropentoxy)pentane
CID 11859046
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 14832369
5-Ethoxy-1,1,1,2,3,3,4,4-octafluoropentane
CID 19063451
1,1,1,2,2,3,3,4,4-Nonafluoro-5-(2,2,2-trifluoroethoxy)pentane
CID 19063481
5-Ethoxy-1,1,2,3,3,4,4-heptafluoropentane
CID 19063493
1,1,2,3,3,4,4-Heptafluoro-5-(2,2,2-trifluoroethoxy)pentane
CID 19063498
1-(1,1-Difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 22002811
5-Ethoxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 22436576
1,1,2,2,3,3,4,4-Octafluoro-5-(2,2,2-trifluoroethoxy)pentane
CID 22436578
1,1,2,2,3,3-Hexafluoro-1-(1,1,2,2,3,3-hexafluoropentoxy)pentane
CID 23511090

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane?
The IUPAC name of 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane (CID 23534925) is 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane?
The canonical SMILES for 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane is FCCCCC(F)(F)OC(F)(F)CF.
What is the InChIKey of 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane?
The InChIKey is WDLJXIIXLMWBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c8-4-2-1-3-6(10,11)14-7(12,13)5-9/h1-5H2.
What are the key properties of 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane?
1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane has a molecular weight of 224.14 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trifluoro-1-(1,1,2-trifluoroethoxy)pentane is sourced from PubChem (CID 23534925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).