2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid

C8H2F14O7 — CID 162396510

IUPAC2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C8H2F14O7/c9-1(2(23)24)25-3(10,11)4(12,13)26-6(17,18)28-8(21,22)29-7(19,20)27-5(14,15)16/h1H,(H,23,24)
InChIKeyHSVFOHWEZHRXJN-UHFFFAOYSA-N
MW476.07 g/mol
LogP3.81
Rot. Bonds11

About 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid

2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid (PubChem CID 162396510) has the molecular formula C8H2F14O7 and a molecular weight of 476.07 g/mol. Its IUPAC name is 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid
PubChem CID162396510
Molecular FormulaC8H2F14O7
Molecular Weight476.07 g/mol
Exact Mass475.96
IUPAC Name2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid
SMILESO=C(O)C(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C8H2F14O7/c9-1(2(23)24)25-3(10,11)4(12,13)26-6(17,18)28-8(21,22)29-7(19,20)27-5(14,15)16/h1H,(H,23,24)
InChIKeyHSVFOHWEZHRXJN-UHFFFAOYSA-N
XLogP3.81
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.07
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid?
The IUPAC name of 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid (CID 162396510) is 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid.
What is the SMILES notation for 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid?
The canonical SMILES for 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid is O=C(O)C(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid?
The InChIKey is HSVFOHWEZHRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F14O7/c9-1(2(23)24)25-3(10,11)4(12,13)26-6(17,18)28-8(21,22)29-7(19,20)27-5(14,15)16/h1H,(H,23,24).
What are the key properties of 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid?
2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid has a molecular weight of 476.07 g/mol, XLogP of 3.81, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethoxy]-2-fluoroacetic acid is sourced from PubChem (CID 162396510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).