(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride

C5BrF9O2 — CID 98454810

IUPAC(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)[C@@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F
InChIInChI=1S/C5BrF9O2/c6-3(9,10)5(14,15)17-2(8,1(7)16)4(11,12)13/t2-/m1/s1
InChIKeyCOIQPZUVUUGETI-UWTATZPHSA-N
MW342.94 g/mol
LogP3.31
Rot. Bonds4

About (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride

(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride (PubChem CID 98454810) has the molecular formula C5BrF9O2 and a molecular weight of 342.94 g/mol. Its IUPAC name is (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride.

Molecular Properties

Compound Name(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride
PubChem CID98454810
Molecular FormulaC5BrF9O2
Molecular Weight342.94 g/mol
Exact Mass341.89
IUPAC Name(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)[C@@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F
InChIInChI=1S/C5BrF9O2/c6-3(9,10)5(14,15)17-2(8,1(7)16)4(11,12)13/t2-/m1/s1
InChIKeyCOIQPZUVUUGETI-UWTATZPHSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propanoyl fluoride
CID 11696776
2,2,3,3,4,4-hexafluoro-4-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxybutanoyl fluoride
CID 11256917
2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride
CID 98047876
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 99647678
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propoxy]propanoyl fluoride
CID 155982267
2,2,3,3,4,4-hexafluoro-4-[1,1,1,2,3,3-hexafluoro-3-(1,1,1,2,3-pentafluoro-3-oxopropan-2-yl)oxypropan-2-yl]oxybutanoyl fluoride
CID 175754670
2-[1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentan-3-yl]oxy-2,3,3,3-tetrafluoropropanoyl fluoride
CID 175734920
2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 45075722
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl bromide
CID 97290730
2,3,3,3-tetrafluoro-2-(fluoromethoxy)propanoyl fluoride
CID 59008596
azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)propanoate
CID 138396479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride?
The IUPAC name of (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride (CID 98454810) is (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride.
What is the SMILES notation for (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride?
The canonical SMILES for (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride is O=C(F)[C@@](F)(OC(F)(F)C(F)(F)Br)C(F)(F)F.
What is the InChIKey of (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride?
The InChIKey is COIQPZUVUUGETI-UWTATZPHSA-N. The full InChI is InChI=1S/C5BrF9O2/c6-3(9,10)5(14,15)17-2(8,1(7)16)4(11,12)13/t2-/m1/s1.
What are the key properties of (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride?
(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride has a molecular weight of 342.94 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride is sourced from PubChem (CID 98454810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).