sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate

C8F15NaO2 — CID 138396485

IUPACsodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate
SMILESO=C([O-])C(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C8HF15O2.Na/c9-2(1(24)25,4(12,13)7(18,19)20)3(10,11)5(14,15)6(16,17)8(21,22)23;/h(H,24,25);/q;+1/p-1
InChIKeyUJQUPNIPLJTIOV-UHFFFAOYSA-M
MW436.05 g/mol
LogP0.11
Rot. Bonds5

About sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate

sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate (PubChem CID 138396485) has the molecular formula C8F15NaO2 and a molecular weight of 436.05 g/mol. Its IUPAC name is sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate.

Molecular Properties

Compound Namesodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate
PubChem CID138396485
Molecular FormulaC8F15NaO2
Molecular Weight436.05 g/mol
Exact Mass435.96
IUPAC Namesodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate
SMILESO=C([O-])C(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C8HF15O2.Na/c9-2(1(24)25,4(12,13)7(18,19)20)3(10,11)5(14,15)6(16,17)8(21,22)23;/h(H,24,25);/q;+1/p-1
InChIKeyUJQUPNIPLJTIOV-UHFFFAOYSA-M
XLogP0.11
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.05
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate with MolForge

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 22174013
lithium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 23704960
potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
CID 4253803
CID 71299621
CID 71299621
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-octatriacontafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-heptatriacontafluorooctadecyl)icosanoic acid
CID 139774776
3,4,4,5,5,6,6,7,7,7-decafluoro-2-methylidene-3-(trifluoromethyl)heptanoate
CID 154405033
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
CID 87694788
potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)propanedioic acid
CID 169091833
sodium 2,2,2-trifluoroacetate
CID 517019
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate);piperazine-1,4-diium
CID 165339393
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652

Frequently Asked Questions

What is the IUPAC name of sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate?
The IUPAC name of sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate (CID 138396485) is sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate.
What is the SMILES notation for sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate?
The canonical SMILES for sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate is O=C([O-])C(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate?
The InChIKey is UJQUPNIPLJTIOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8HF15O2.Na/c9-2(1(24)25,4(12,13)7(18,19)20)3(10,11)5(14,15)6(16,17)8(21,22)23;/h(H,24,25);/q;+1/p-1.
What are the key properties of sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate?
sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate has a molecular weight of 436.05 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate is sourced from PubChem (CID 138396485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).