3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol

C12H11F13O5 — CID 91477277

IUPAC3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol
SMILESC=C(F)C(F)(F)OC(O)(F)C(F)(F)OC(F)(COCC(CO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F13O5/c1-5(13)9(18,19)30-12(25,27)11(23,24)29-7(14,10(20,21)22)4-28-3-6(2-26)8(15,16)17/h6,26-27H,1-4H2
InChIKeyFWANHXRXOHXMQB-UHFFFAOYSA-N
MW482.19 g/mol
LogP3.72
Rot. Bonds11

About 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol

3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol (PubChem CID 91477277) has the molecular formula C12H11F13O5 and a molecular weight of 482.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol
PubChem CID91477277
Molecular FormulaC12H11F13O5
Molecular Weight482.19 g/mol
Exact Mass482.04
IUPAC Name3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol
SMILESC=C(F)C(F)(F)OC(O)(F)C(F)(F)OC(F)(COCC(CO)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F13O5/c1-5(13)9(18,19)30-12(25,27)11(23,24)29-7(14,10(20,21)22)4-28-3-6(2-26)8(15,16)17/h6,26-27H,1-4H2
InChIKeyFWANHXRXOHXMQB-UHFFFAOYSA-N
XLogP3.72
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol with MolForge

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Related Compounds

3-[2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]propane-1,2-diol
CID 59364918

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol (CID 91477277) is 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol is C=C(F)C(F)(F)OC(O)(F)C(F)(F)OC(F)(COCC(CO)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol?
The InChIKey is FWANHXRXOHXMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F13O5/c1-5(13)9(18,19)30-12(25,27)11(23,24)29-7(14,10(20,21)22)4-28-3-6(2-26)8(15,16)17/h6,26-27H,1-4H2.
What are the key properties of 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol?
3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol has a molecular weight of 482.19 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2,3,3,3-tetrafluoro-2-[1,1,2-trifluoro-2-hydroxy-2-(1,1,2-trifluoroprop-2-enoxy)ethoxy]propoxy]methyl]propan-1-ol is sourced from PubChem (CID 91477277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).