3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid

C10H2F16O7 — CID 87175830

IUPAC3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C10H2F16O7/c11-3(12,1(27)28)5(15,16)31-7(19,20)9(23,24)33-10(25,26)8(21,22)32-6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30)
InChIKeySWUPIHJLHSSNFJ-UHFFFAOYSA-N
MW538.09 g/mol
LogP4.03
Rot. Bonds12

About 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid

3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid (PubChem CID 87175830) has the molecular formula C10H2F16O7 and a molecular weight of 538.09 g/mol. Its IUPAC name is 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
PubChem CID87175830
Molecular FormulaC10H2F16O7
Molecular Weight538.09 g/mol
Exact Mass537.95
IUPAC Name3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C10H2F16O7/c11-3(12,1(27)28)5(15,16)31-7(19,20)9(23,24)33-10(25,26)8(21,22)32-6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30)
InChIKeySWUPIHJLHSSNFJ-UHFFFAOYSA-N
XLogP4.03
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.09
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
The IUPAC name of 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid (CID 87175830) is 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid.
What is the SMILES notation for 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
The canonical SMILES for 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid is O=C(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
The InChIKey is SWUPIHJLHSSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F16O7/c11-3(12,1(27)28)5(15,16)31-7(19,20)9(23,24)33-10(25,26)8(21,22)32-6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30).
What are the key properties of 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid?
3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid has a molecular weight of 538.09 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoropropanoic acid is sourced from PubChem (CID 87175830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).