2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride

C7F12O3 — CID 98047876

IUPAC2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C7F12O3/c8-1(20)3(10,11)5(13,14)7(18,19)22-4(12,2(9)21)6(15,16)17/t4-/m1/s1
InChIKeyMNEZTIJYMZUPMM-SCSAIBSYSA-N
MW360.05 g/mol
LogP3.09
Rot. Bonds6

About 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride

2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride (PubChem CID 98047876) has the molecular formula C7F12O3 and a molecular weight of 360.05 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride
PubChem CID98047876
Molecular FormulaC7F12O3
Molecular Weight360.05 g/mol
Exact Mass359.97
IUPAC Name2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride
SMILESO=C(F)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F
InChIInChI=1S/C7F12O3/c8-1(20)3(10,11)5(13,14)7(18,19)22-4(12,2(9)21)6(15,16)17/t4-/m1/s1
InChIKeyMNEZTIJYMZUPMM-SCSAIBSYSA-N
XLogP3.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride with MolForge

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Related Compounds

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-[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
(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-(1,1,2,2-tetrafluoro-2-iodoethoxy)propanoyl fluoride
CID 11696776
(2S)-2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoropropanoyl fluoride
CID 98454810
4-(1-carboxy-1,2,2,2-tetrafluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid
CID 58623351
2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 121435395
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
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-[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
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23-tetratetracontafluorotetracosanedioyl difluoride
CID 163363228
1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,1,2,4,5,5,5-octafluoro-3-oxo-4-(trifluoromethyl)pentan-2-yl]oxybutoxy]-4-(trifluoromethyl)pentan-3-one
CID 88530414

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride (CID 98047876) is 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride is O=C(F)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride?
The InChIKey is MNEZTIJYMZUPMM-SCSAIBSYSA-N. The full InChI is InChI=1S/C7F12O3/c8-1(20)3(10,11)5(13,14)7(18,19)22-4(12,2(9)21)6(15,16)17/t4-/m1/s1.
What are the key properties of 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride?
2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride has a molecular weight of 360.05 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-4-[(2S)-1,1,1,2,3-pentafluoro-3-oxopropan-2-yl]oxybutanoyl fluoride is sourced from PubChem (CID 98047876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).