fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate

C6HF9O3 — CID 59114952

IUPACfluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate
SMILESO=C(OF)C(F)(O/C(F)=C(\F)C(F)F)C(F)(F)F
InChIInChI=1S/C6HF9O3/c7-1(2(8)9)3(10)17-5(11,4(16)18-15)6(12,13)14/h2H/b3-1-
InChIKeyXUIWRIVQPQBMSM-IWQZZHSRSA-N
MW292.05 g/mol
LogP3.03
Rot. Bonds4

About fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate

fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate (PubChem CID 59114952) has the molecular formula C6HF9O3 and a molecular weight of 292.05 g/mol. Its IUPAC name is fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate.

Molecular Properties

Compound Namefluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate
PubChem CID59114952
Molecular FormulaC6HF9O3
Molecular Weight292.05 g/mol
Exact Mass291.98
IUPAC Namefluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate
SMILESO=C(OF)C(F)(O/C(F)=C(\F)C(F)F)C(F)(F)F
InChIInChI=1S/C6HF9O3/c7-1(2(8)9)3(10)17-5(11,4(16)18-15)6(12,13)14/h2H/b3-1-
InChIKeyXUIWRIVQPQBMSM-IWQZZHSRSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

potassium;fluoro 2,2,3,3-tetrafluoropropanoate;hydride
CID 173393636
fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
CID 174409170
fluoro 2-fluoro-2-(trifluoromethyl)butanoate
CID 57470647
[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
CID 129405214
2-(difluoromethoxy)-2,3,3,3-tetrafluoropropanoic acid
CID 58623366
2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
fluoro 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-triacontafluorohexadecanoate
CID 87145953
copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
CID 87233917
difluoro 2,2-dichloro-3,3-difluorobutanedioate
CID 174892159
carbonic acid;1,1,2,3,3-pentafluoroprop-1-ene
CID 135262212
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
methyl (3S)-2,2,3-trifluorobutanoate
CID 139504905

Frequently Asked Questions

What is the IUPAC name of fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate?
The IUPAC name of fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate (CID 59114952) is fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate.
What is the SMILES notation for fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate?
The canonical SMILES for fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate is O=C(OF)C(F)(O/C(F)=C(\F)C(F)F)C(F)(F)F.
What is the InChIKey of fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate?
The InChIKey is XUIWRIVQPQBMSM-IWQZZHSRSA-N. The full InChI is InChI=1S/C6HF9O3/c7-1(2(8)9)3(10)17-5(11,4(16)18-15)6(12,13)14/h2H/b3-1-.
What are the key properties of fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate?
fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate has a molecular weight of 292.05 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,3,3,3-tetrafluoro-2-[(E)-1,2,3,3-tetrafluoroprop-1-enoxy]propanoate is sourced from PubChem (CID 59114952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).