1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane

C9H8F12O4 — CID 14943834

IUPAC1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane
SMILESFC(F)(F)COC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H8F12O4/c10-5(11,12)1-22-9(23-2-6(13,14)15,24-3-7(16,17)18)25-4-8(19,20)21/h1-4H2
InChIKeyHDGPDRBPURTDIP-UHFFFAOYSA-N
MW408.14 g/mol
LogP3.91
Rot. Bonds8

About 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane

1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane (PubChem CID 14943834) has the molecular formula C9H8F12O4 and a molecular weight of 408.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane
PubChem CID14943834
Molecular FormulaC9H8F12O4
Molecular Weight408.14 g/mol
Exact Mass408.02
IUPAC Name1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane
SMILESFC(F)(F)COC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H8F12O4/c10-5(11,12)1-22-9(23-2-6(13,14)15,24-3-7(16,17)18)25-4-8(19,20)21/h1-4H2
InChIKeyHDGPDRBPURTDIP-UHFFFAOYSA-N
XLogP3.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane?
The IUPAC name of 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane (CID 14943834) is 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane?
The canonical SMILES for 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane is FC(F)(F)COC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane?
The InChIKey is HDGPDRBPURTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F12O4/c10-5(11,12)1-22-9(23-2-6(13,14)15,24-3-7(16,17)18)25-4-8(19,20)21/h1-4H2.
What are the key properties of 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane?
1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane has a molecular weight of 408.14 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane is sourced from PubChem (CID 14943834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).