sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate

C8F15NaO8 — CID 165362394

IUPACsodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F.[Na+]
InChIInChI=1S/C8HF15O8.Na/c9-2(10,1(24)25)26-4(14,15)28-6(18,19)30-8(22,23)31-7(20,21)29-5(16,17)27-3(11,12)13;/h(H,24,25);/q;+1/p-1
InChIKeyMKBXBRHHHMBLDP-UHFFFAOYSA-M
MW532.04 g/mol
LogP-0.30
Rot. Bonds12

About sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate

sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate (PubChem CID 165362394) has the molecular formula C8F15NaO8 and a molecular weight of 532.04 g/mol. Its IUPAC name is sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate.

Molecular Properties

Compound Namesodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate
PubChem CID165362394
Molecular FormulaC8F15NaO8
Molecular Weight532.04 g/mol
Exact Mass531.93
IUPAC Namesodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F.[Na+]
InChIInChI=1S/C8HF15O8.Na/c9-2(10,1(24)25)26-4(14,15)28-6(18,19)30-8(22,23)31-7(20,21)29-5(16,17)27-3(11,12)13;/h(H,24,25);/q;+1/p-1
InChIKeyMKBXBRHHHMBLDP-UHFFFAOYSA-M
XLogP-0.30
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.04
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

sodium 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetate
CID 175696447
3-[difluoro(trifluoromethoxy)methoxy]-2,3,3-trifluoroprop-1-ene
CID 175944751
2,2-difluoro-2-methoxyacetate
CID 164747737
sodium 2,2,2-trifluoroacetate
CID 517019
2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol
CID 58913824
2,2-difluoro-2-[(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-enoxy]acetate
CID 162679402
2-[2-[2-[chloro(difluoro)methyl]-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropoxy]-2,2-difluoroacetate
CID 102400219
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169

Frequently Asked Questions

What is the IUPAC name of sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate?
The IUPAC name of sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate (CID 165362394) is sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate.
What is the SMILES notation for sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate?
The canonical SMILES for sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate is O=C([O-])C(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)OC(F)(F)F.[Na+].
What is the InChIKey of sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate?
The InChIKey is MKBXBRHHHMBLDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8HF15O8.Na/c9-2(10,1(24)25)26-4(14,15)28-6(18,19)30-8(22,23)31-7(20,21)29-5(16,17)27-3(11,12)13;/h(H,24,25);/q;+1/p-1.
What are the key properties of sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate?
sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate has a molecular weight of 532.04 g/mol, XLogP of -0.30, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[[[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate is sourced from PubChem (CID 165362394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).