2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid

C4HClF6O3 — CID 15570709

IUPAC2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C4HClF6O3/c5-3(8,9)4(10,11)14-2(6,7)1(12)13/h(H,12,13)
InChIKeyGYBJSXMWSWYNST-UHFFFAOYSA-N
MW246.49 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid

2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid (PubChem CID 15570709) has the molecular formula C4HClF6O3 and a molecular weight of 246.49 g/mol. Its IUPAC name is 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
PubChem CID15570709
Molecular FormulaC4HClF6O3
Molecular Weight246.49 g/mol
Exact Mass245.95
IUPAC Name2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C4HClF6O3/c5-3(8,9)4(10,11)14-2(6,7)1(12)13/h(H,12,13)
InChIKeyGYBJSXMWSWYNST-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 102331882
azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
CID 175001633
2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 162396472
azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acid
CID 175696446
2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid
CID 141118237
2,2-dichloro-2-fluoroacetic acid;silver
CID 88843250
CID 87918969
CID 87918969
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
CID 23235156
1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane
CID 102345712
(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
lithium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173193324
magnesium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173148717

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid (CID 15570709) is 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid is O=C(O)C(F)(F)OC(F)(F)C(F)(F)Cl.
What is the InChIKey of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid?
The InChIKey is GYBJSXMWSWYNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF6O3/c5-3(8,9)4(10,11)14-2(6,7)1(12)13/h(H,12,13).
What are the key properties of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid?
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid has a molecular weight of 246.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid is sourced from PubChem (CID 15570709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).