2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane

C7H9F7O2 — CID 10220766

IUPAC2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
SMILESCC(C)(C)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H9F7O2/c1-4(2,3)15-5(8,9)6(10,11)16-7(12,13)14/h1-3H3
InChIKeyNITRNNYJPORTOX-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.52
Rot. Bonds3

About 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane

2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane (PubChem CID 10220766) has the molecular formula C7H9F7O2 and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
PubChem CID10220766
Molecular FormulaC7H9F7O2
Molecular Weight258.13 g/mol
Exact Mass258.05
IUPAC Name2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
SMILESCC(C)(C)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7H9F7O2/c1-4(2,3)15-5(8,9)6(10,11)16-7(12,13)14/h1-3H3
InChIKeyNITRNNYJPORTOX-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 2782467
2-Methyl-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)propane
CID 9859080
2-Methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10130317
2-(1,1,2,2,3,3,3-Heptafluoropropoxy)-2-methylpropane
CID 10198680
2-(2,2-Difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane
CID 20614595
2-Methyl-2-[1,1,2,2-tetrafluoro-2-[(2-methylpropan-2-yl)oxy]ethoxy]propane
CID 20760257
Fluoromethane;1,1,1,2,4,4,4-heptafluorobutane;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,1,2-trifluoroethoxy)propane
CID 53855678
1-[1,1-Difluoro-2-methyl-1-(trifluoromethoxy)propan-2-yl]oxy-1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butane
CID 57724168
1,2-Bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane
CID 58029213
1-Fluoro-2-methyl-2-(1,1,2,2-tetrafluoropropoxy)propane
CID 58362312
1-Fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane
CID 58362317
[1,1,3,3-Tetrafluoro-2-methoxy-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propyl] hypofluorite
CID 58731912

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
The IUPAC name of 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane (CID 10220766) is 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane.
What is the SMILES notation for 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
The canonical SMILES for 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane is CC(C)(C)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
The InChIKey is NITRNNYJPORTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O2/c1-4(2,3)15-5(8,9)6(10,11)16-7(12,13)14/h1-3H3.
What are the key properties of 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane has a molecular weight of 258.13 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane is sourced from PubChem (CID 10220766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).