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

C5H3F9O — CID 2775038

IUPAC1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(4(10,11)12)5(13,14)15-1-3(7,8)9/h2H,1H2
InChIKeyLMRGTZDDPWGCGL-UHFFFAOYSA-N
MW250.06 g/mol
LogP3.06
Rot. Bonds3

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

1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane (PubChem CID 2775038) has the molecular formula C5H3F9O and a molecular weight of 250.06 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
PubChem CID2775038
Molecular FormulaC5H3F9O
Molecular Weight250.06 g/mol
Exact Mass250.00
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H3F9O/c6-2(4(10,11)12)5(13,14)15-1-3(7,8)9/h2H,1H2
InChIKeyLMRGTZDDPWGCGL-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane (CID 2775038) is 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane is FC(C(F)(F)F)C(F)(F)OCC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane?
The InChIKey is LMRGTZDDPWGCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9O/c6-2(4(10,11)12)5(13,14)15-1-3(7,8)9/h2H,1H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane has a molecular weight of 250.06 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 2775038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).