potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate

C10H10F9KO2 — CID 175345663

IUPACpotassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[K+]
InChIInChI=1S/C10H11F9O2.K/c1-2-3-4-5(11)7(12,13)9(16,17)10(18,19)8(14,15)6(20)21;/h5H,2-4H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyKXAMJDSOYISFTF-UHFFFAOYSA-M
MW372.27 g/mol
LogP-0.19
Rot. Bonds8

About potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate

potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate (PubChem CID 175345663) has the molecular formula C10H10F9KO2 and a molecular weight of 372.27 g/mol. Its IUPAC name is potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate.

Molecular Properties

Compound Namepotassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
PubChem CID175345663
Molecular FormulaC10H10F9KO2
Molecular Weight372.27 g/mol
Exact Mass372.02
IUPAC Namepotassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
SMILESCCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[K+]
InChIInChI=1S/C10H11F9O2.K/c1-2-3-4-5(11)7(12,13)9(16,17)10(18,19)8(14,15)6(20)21;/h5H,2-4H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyKXAMJDSOYISFTF-UHFFFAOYSA-M
XLogP-0.19
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
2,2,3,3,4,4,5-heptafluoroundecanoic acid
CID 175755726
1-bromo-1,1,2,2,3,3,4,4,5-nonafluorononane
CID 175517627
tetrabutylphosphanium;2,2,2-trifluoroacetate
CID 87558348
dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 71669306
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-nonadecafluoroicosan-1-ol
CID 54151908
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588
tetraethylazanium;1,1,2,2,3,3,4,4,5,5,6-undecafluorodecane-1-sulfonate
CID 122481847
1,1,1,2,2,3,3,4,4,5,6,6,7,7,8-pentadecafluorododecane
CID 123425795
1,1,2,2,3,3,4,4,5,5,6-undecafluorododecane-1-sulfonic acid
CID 122480856
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783

Frequently Asked Questions

What is the IUPAC name of potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate?
The IUPAC name of potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate (CID 175345663) is potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate.
What is the SMILES notation for potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate?
The canonical SMILES for potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate is CCCCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[K+].
What is the InChIKey of potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate?
The InChIKey is KXAMJDSOYISFTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11F9O2.K/c1-2-3-4-5(11)7(12,13)9(16,17)10(18,19)8(14,15)6(20)21;/h5H,2-4H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate?
potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate has a molecular weight of 372.27 g/mol, XLogP of -0.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate is sourced from PubChem (CID 175345663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).