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

C12H11F13O5 — CID 59364918

IUPAC3-[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
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC(O)CO)C(F)(F)F
InChIInChI=1S/C12H11F13O5/c1-5(13)8(15,16)30-9(17,11(21,22)23)12(24,25)29-7(14,10(18,19)20)4-28-3-6(27)2-26/h6,26-27H,1-4H2
InChIKeyOAOYQOBEDZSUHV-UHFFFAOYSA-N
MW482.19 g/mol
LogP3.51
Rot. Bonds11

About 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

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 (PubChem CID 59364918) has the molecular formula C12H11F13O5 and a molecular weight of 482.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID59364918
Molecular FormulaC12H11F13O5
Molecular Weight482.19 g/mol
Exact Mass482.04
IUPAC Name3-[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
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC(O)CO)C(F)(F)F
InChIInChI=1S/C12H11F13O5/c1-5(13)8(15,16)30-9(17,11(21,22)23)12(24,25)29-7(14,10(18,19)20)4-28-3-6(27)2-26/h6,26-27H,1-4H2
InChIKeyOAOYQOBEDZSUHV-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

Perfluoro(1,1,9,9-tetrahydro-2,5-bis(trifluoromethyl)-3,6-dioxa-8-nonen-1-ol)
CID 22897552
2,3,3,3-Tetrafluoro-2-[(1,1,2-trifluoro-2-propen-1-yl)oxy]-1-propanol
CID 20802269
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propan-1-ol;1,1,1,2-tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane;3,3,3-trifluoroprop-1-ene
CID 54541396
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]propan-1-ol
CID 59628110
3,3,3-Trifluoro-2-(3,3,3-trifluoro-2-prop-2-enoxypropoxy)propan-1-ol
CID 87642564
4,4,4-Trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride
CID 90845834
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
1-[3-(2,2-Difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-3-(2-prop-2-enoxyethoxy)propan-2-ol
CID 155118932
4,4,4-Trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol
CID 90845835
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 101082385

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC(O)CO)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is OAOYQOBEDZSUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F13O5/c1-5(13)8(15,16)30-9(17,11(21,22)23)12(24,25)29-7(14,10(18,19)20)4-28-3-6(27)2-26/h6,26-27H,1-4H2.
What are the key properties of 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?
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 has a molecular weight of 482.19 g/mol, XLogP of 3.51, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59364918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).