sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate

C11F23NaO — CID 23682889

IUPACsodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
SMILES[Na+].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F23O.Na/c12-2(13,1(35,9(26,27)28)10(29,30)31)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)11(32,33)34;/q-1;+1
InChIKeyKKBIUJNQPZMDBU-UHFFFAOYSA-N
MW608.06 g/mol
LogP3.22
Rot. Bonds7

About sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate

sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate (PubChem CID 23682889) has the molecular formula C11F23NaO and a molecular weight of 608.06 g/mol. Its IUPAC name is sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate.

Molecular Properties

Compound Namesodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
PubChem CID23682889
Molecular FormulaC11F23NaO
Molecular Weight608.06 g/mol
Exact Mass607.95
IUPAC Namesodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
SMILES[Na+].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F23O.Na/c12-2(13,1(35,9(26,27)28)10(29,30)31)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)11(32,33)34;/q-1;+1
InChIKeyKKBIUJNQPZMDBU-UHFFFAOYSA-N
XLogP3.22
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.06
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate with MolForge

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Related Compounds

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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane
CID 21095712
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecylphosphane
CID 21095709
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-olate;tetramethylazanium
CID 162346584
sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro(113C)hexane-1-sulfonate
CID 169446237
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23671708

Frequently Asked Questions

What is the IUPAC name of sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate?
The IUPAC name of sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate (CID 23682889) is sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate.
What is the SMILES notation for sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate?
The canonical SMILES for sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate is [Na+].[O-]C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate?
The InChIKey is KKBIUJNQPZMDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F23O.Na/c12-2(13,1(35,9(26,27)28)10(29,30)31)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)11(32,33)34;/q-1;+1.
What are the key properties of sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate?
sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate has a molecular weight of 608.06 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate is sourced from PubChem (CID 23682889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).