1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane

C7H6F10O2 — CID 90334352

IUPAC1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
SMILESCOC(F)(C(F)(F)F)C(F)(F)OC(C)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c1-3(8,5(10,11)12)19-7(16,17)4(9,18-2)6(13,14)15/h1-2H3
InChIKeyHTDAEPBGSNNHGI-UHFFFAOYSA-N
MW312.10 g/mol
LogP3.72
Rot. Bonds4

About 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane

1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane (PubChem CID 90334352) has the molecular formula C7H6F10O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
PubChem CID90334352
Molecular FormulaC7H6F10O2
Molecular Weight312.10 g/mol
Exact Mass312.02
IUPAC Name1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
SMILESCOC(F)(C(F)(F)F)C(F)(F)OC(C)(F)C(F)(F)F
InChIInChI=1S/C7H6F10O2/c1-3(8,5(10,11)12)19-7(16,17)4(9,18-2)6(13,14)15/h1-2H3
InChIKeyHTDAEPBGSNNHGI-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane (CID 90334352) is 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane is COC(F)(C(F)(F)F)C(F)(F)OC(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
The InChIKey is HTDAEPBGSNNHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F10O2/c1-3(8,5(10,11)12)19-7(16,17)4(9,18-2)6(13,14)15/h1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane has a molecular weight of 312.10 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane is sourced from PubChem (CID 90334352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).