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

C6H6F8O — CID 533655

IUPAC1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane
SMILESCCOC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-2-15-6(13,14)3(4(7,8)9)5(10,11)12/h3H,2H2,1H3
InChIKeyOTHMRKKZZSWKQM-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.36
Rot. Bonds3

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

1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane (PubChem CID 533655) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane
PubChem CID533655
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane
SMILESCCOC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-2-15-6(13,14)3(4(7,8)9)5(10,11)12/h3H,2H2,1H3
InChIKeyOTHMRKKZZSWKQM-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane (CID 533655) is 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane is CCOC(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane?
The InChIKey is OTHMRKKZZSWKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-2-15-6(13,14)3(4(7,8)9)5(10,11)12/h3H,2H2,1H3.
What are the key properties of 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane?
1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane has a molecular weight of 246.10 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 533655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).