4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride

C10H9F13O3 — CID 90845834

IUPAC4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(C(C)O)C(F)(F)F.F
InChIInChI=1S/C10H8F12O3.FH/c1-3(23)5(6(12,13)14)24-10(21,22)8(17,9(18,19)20)25-7(15,16)4(2)11;/h3,5,23H,2H2,1H3;1H
InChIKeyJSMLVYUWYOIEBM-UHFFFAOYSA-N
MW424.15 g/mol
LogP4.38
Rot. Bonds7

About 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride

4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride (PubChem CID 90845834) has the molecular formula C10H9F13O3 and a molecular weight of 424.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride
PubChem CID90845834
Molecular FormulaC10H9F13O3
Molecular Weight424.15 g/mol
Exact Mass424.03
IUPAC Name4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(C(C)O)C(F)(F)F.F
InChIInChI=1S/C10H8F12O3.FH/c1-3(23)5(6(12,13)14)24-10(21,22)8(17,9(18,19)20)25-7(15,16)4(2)11;/h3,5,23H,2H2,1H3;1H
InChIKeyJSMLVYUWYOIEBM-UHFFFAOYSA-N
XLogP4.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.15
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride 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
3,3,3-Trifluoro-2-prop-2-enoxypropan-1-ol
CID 15215719
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
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
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
1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
CID 91111246
2-Fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
CID 91111847
1,1,1,4,4,4-Hexafluoro-2-(trifluoromethyl)-3-(1,1,2-trifluoroprop-2-enoxy)butan-2-ol
CID 91321299
1,1,1,2,3,3-Hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride
CID 91323938
2-[2-(1,1,1-Trifluoropenta-3,4-dien-2-yloxy)ethoxy]ethanol
CID 140216080

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride?
The IUPAC name of 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) is 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride.
What is the SMILES notation for 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride?
The canonical SMILES for 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(C(C)O)C(F)(F)F.F.
What is the InChIKey of 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride?
The InChIKey is JSMLVYUWYOIEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F12O3.FH/c1-3(23)5(6(12,13)14)24-10(21,22)8(17,9(18,19)20)25-7(15,16)4(2)11;/h3,5,23H,2H2,1H3;1H.
What are the key properties of 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride?
4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride has a molecular weight of 424.15 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]butan-2-ol;hydrofluoride is sourced from PubChem (CID 90845834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).