2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane

C10H12F10O2 — CID 91111847

IUPAC2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
SMILESC=C(F)C(F)(F)OC(CC(F)(F)F)C(F)(F)F.CC(C)(O)F
InChIInChI=1S/C7H5F9O.C3H7FO/c1-3(8)7(15,16)17-4(6(12,13)14)2-5(9,10)11;1-3(2,4)5/h4H,1-2H2;5H,1-2H3
InChIKeyBLZUNMXJPJFEGJ-UHFFFAOYSA-N
MW354.18 g/mol
LogP4.65
Rot. Bonds4

About 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane

2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane (PubChem CID 91111847) has the molecular formula C10H12F10O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane.

Molecular Properties

Compound Name2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
PubChem CID91111847
Molecular FormulaC10H12F10O2
Molecular Weight354.18 g/mol
Exact Mass354.07
IUPAC Name2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
SMILESC=C(F)C(F)(F)OC(CC(F)(F)F)C(F)(F)F.CC(C)(O)F
InChIInChI=1S/C7H5F9O.C3H7FO/c1-3(8)7(15,16)17-4(6(12,13)14)2-5(9,10)11;1-3(2,4)5/h4H,1-2H2;5H,1-2H3
InChIKeyBLZUNMXJPJFEGJ-UHFFFAOYSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane with MolForge

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Related Compounds

1,1,2,3,3-Pentafluoro-3-(2-propoxypropoxy)prop-1-ene
CID 20525326
1-Ethoxy-1,1,2,2-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802234
1,1,1,2-Tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 22897551
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-Ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 90956387
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
Fluoroethene;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
CID 91144902
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
1,1,2,2-Tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
CID 91520578
Acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
CID 91610180
1,1,1,2,3,3-Hexafluoro-3-(1-fluoropropoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 157772932
Fluoromethane;1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;methane
CID 160393725

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
The IUPAC name of 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane (CID 91111847) is 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane.
What is the SMILES notation for 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
The canonical SMILES for 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane is C=C(F)C(F)(F)OC(CC(F)(F)F)C(F)(F)F.CC(C)(O)F.
What is the InChIKey of 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
The InChIKey is BLZUNMXJPJFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O.C3H7FO/c1-3(8)7(15,16)17-4(6(12,13)14)2-5(9,10)11;1-3(2,4)5/h4H,1-2H2;5H,1-2H3.
What are the key properties of 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane has a molecular weight of 354.18 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane is sourced from PubChem (CID 91111847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).