difluoro 2,2-dichloro-3,3-difluorobutanedioate

C4Cl2F4O4 — CID 174892159

IUPACdifluoro 2,2-dichloro-3,3-difluorobutanedioate
SMILESO=C(OF)C(F)(F)C(Cl)(Cl)C(=O)OF
InChIInChI=1S/C4Cl2F4O4/c5-3(6,1(11)13-9)4(7,8)2(12)14-10
InChIKeyWFMHTAVNGXVBPO-UHFFFAOYSA-N
MW258.94 g/mol
LogP1.65
Rot. Bonds3

About difluoro 2,2-dichloro-3,3-difluorobutanedioate

difluoro 2,2-dichloro-3,3-difluorobutanedioate (PubChem CID 174892159) has the molecular formula C4Cl2F4O4 and a molecular weight of 258.94 g/mol. Its IUPAC name is difluoro 2,2-dichloro-3,3-difluorobutanedioate.

Molecular Properties

Compound Namedifluoro 2,2-dichloro-3,3-difluorobutanedioate
PubChem CID174892159
Molecular FormulaC4Cl2F4O4
Molecular Weight258.94 g/mol
Exact Mass257.91
IUPAC Namedifluoro 2,2-dichloro-3,3-difluorobutanedioate
SMILESO=C(OF)C(F)(F)C(Cl)(Cl)C(=O)OF
InChIInChI=1S/C4Cl2F4O4/c5-3(6,1(11)13-9)4(7,8)2(12)14-10
InChIKeyWFMHTAVNGXVBPO-UHFFFAOYSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.94
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
fluoro 2,3,3,3-tetrafluoro-2-(fluoromethyl)propanoate
CID 174409170
potassium;fluoro 2,2,3,3-tetrafluoropropanoate;hydride
CID 173393636
(11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl) 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecaneperoxoate
CID 22166240
trilithium;difluoro 2,2-difluoropropanedioate;phosphate
CID 172792476
(2-chloro-2-fluoropropanoyl) 2-chloro-2-fluoropropaneperoxoate
CID 19690456
fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate
CID 174997199
fluoro 2-fluoro-2-(trifluoromethyl)butanoate
CID 57470647
fluoro 4-amino-2,2-difluoro-4-oxobutanoate
CID 87725843
bis(chloromethyl) 2,2,3,3-tetrafluorobutanedioate
CID 58658240

Frequently Asked Questions

What is the IUPAC name of difluoro 2,2-dichloro-3,3-difluorobutanedioate?
The IUPAC name of difluoro 2,2-dichloro-3,3-difluorobutanedioate (CID 174892159) is difluoro 2,2-dichloro-3,3-difluorobutanedioate.
What is the SMILES notation for difluoro 2,2-dichloro-3,3-difluorobutanedioate?
The canonical SMILES for difluoro 2,2-dichloro-3,3-difluorobutanedioate is O=C(OF)C(F)(F)C(Cl)(Cl)C(=O)OF.
What is the InChIKey of difluoro 2,2-dichloro-3,3-difluorobutanedioate?
The InChIKey is WFMHTAVNGXVBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F4O4/c5-3(6,1(11)13-9)4(7,8)2(12)14-10.
What are the key properties of difluoro 2,2-dichloro-3,3-difluorobutanedioate?
difluoro 2,2-dichloro-3,3-difluorobutanedioate has a molecular weight of 258.94 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro 2,2-dichloro-3,3-difluorobutanedioate is sourced from PubChem (CID 174892159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).