acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane

C9H8F10O2 — CID 91610180

IUPACacetyl fluoride;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(=O)F
InChIInChI=1S/C7H5F9O.C2H3FO/c1-3(8)7(15,16)17-4(6(12,13)14)2-5(9,10)11;1-2(3)4/h4H,1-2H2;1H3
InChIKeySZIMSBRYNABTIR-UHFFFAOYSA-N
MW338.14 g/mol
LogP4.46
Rot. Bonds4

About acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane

acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane (PubChem CID 91610180) has the molecular formula C9H8F10O2 and a molecular weight of 338.14 g/mol. Its IUPAC name is acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane.

Molecular Properties

Compound Nameacetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
PubChem CID91610180
Molecular FormulaC9H8F10O2
Molecular Weight338.14 g/mol
Exact Mass338.04
IUPAC Nameacetyl fluoride;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(=O)F
InChIInChI=1S/C7H5F9O.C2H3FO/c1-3(8)7(15,16)17-4(6(12,13)14)2-5(9,10)11;1-2(3)4/h4H,1-2H2;1H3
InChIKeySZIMSBRYNABTIR-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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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
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
2-Fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
CID 91111847
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
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
1-(3-Ethoxy-3,3-difluoropropoxy)-1,1,2-trifluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane
CID 167003021

Frequently Asked Questions

What is the IUPAC name of acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
The IUPAC name of acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane (CID 91610180) is acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane.
What is the SMILES notation for acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
The canonical SMILES for acetyl fluoride;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(=O)F.
What is the InChIKey of acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
The InChIKey is SZIMSBRYNABTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O.C2H3FO/c1-3(8)7(15,16)17-4(6(12,13)14)2-5(9,10)11;1-2(3)4/h4H,1-2H2;1H3.
What are the key properties of acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane?
acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane has a molecular weight of 338.14 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl fluoride;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane is sourced from PubChem (CID 91610180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).