2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C6H5F9O — CID 11065298

IUPAC2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-2-16-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyOTWQSFHZBPTIHF-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.45
Rot. Bonds2

About 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 11065298) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID11065298
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESCCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-2-16-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyOTWQSFHZBPTIHF-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl perfluoroisobutyl ether
CID 205999
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036
2-Ethoxy-1,1,1,2,3,3,3-heptafluoropropane
CID 179387
1-Ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane
CID 533655
2-Ethoxy-1,1,1,3,3,3-hexafluoropropane
CID 22178536
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propoxypropane
CID 138604548
2-Methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 2782467
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
1-Ethoxy-1,1,2,2,3,3,3-heptafluoropropane
CID 11586547
2-Methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
1,1,1-Trifluoro-3-(1,1,2,2,3,3-hexafluoropropoxy)-2-methylpropane
CID 18378010

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 11065298) is 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is CCOC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is OTWQSFHZBPTIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-2-16-3(4(7,8)9,5(10,11)12)6(13,14)15/h2H2,1H3.
What are the key properties of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 264.09 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 11065298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).