1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane

C5H4F8O — CID 171776185

IUPAC1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
SMILESFC(F)C(F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(3(7)8)5(12,13)14-1-4(9,10)11/h2-3H,1H2
InChIKeyMYJMNRLOLXYWOP-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.76
Rot. Bonds4

About 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane

1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane (PubChem CID 171776185) has the molecular formula C5H4F8O and a molecular weight of 232.07 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
PubChem CID171776185
Molecular FormulaC5H4F8O
Molecular Weight232.07 g/mol
Exact Mass232.01
IUPAC Name1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
SMILESFC(F)C(F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H4F8O/c6-2(3(7)8)5(12,13)14-1-4(9,10)11/h2-3H,1H2
InChIKeyMYJMNRLOLXYWOP-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
CID 86205974
(2R)-1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
CID 97291102
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
2,2-bis(2,2,2-trifluoroethoxy)propane
CID 18927635
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 2775955
2-[dichloro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203788
2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane;1,1,1-trifluoro-2-(trifluoromethoxy)ethane
CID 87586525
1,1,1,3,3-pentafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
CID 11623808
1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane
CID 89114469
2,2-bis(1,1,2,2,3,4,4-heptafluorobutoxymethyl)propane-1,3-diamine
CID 19043782
(2S)-1,1,1,2,3,3-hexafluoro-4-[(2R)-1,1,2,3,3,3-hexafluoropropoxy]butane
CID 98454452

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane (CID 171776185) is 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane is FC(F)C(F)C(F)(F)OCC(F)(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
The InChIKey is MYJMNRLOLXYWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O/c6-2(3(7)8)5(12,13)14-1-4(9,10)11/h2-3H,1H2.
What are the key properties of 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane?
1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane has a molecular weight of 232.07 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 171776185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).