azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

C10H4F19NO2 — CID 3014171

IUPACazanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
SMILESO=C([O-])C(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.[NH4+]
InChIInChI=1S/C10HF19O2.H3N/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);1H3
InChIKeyCQLZEWXXRJJDKG-UHFFFAOYSA-N
MW531.11 g/mol
LogP4.76
Rot. Bonds8

About azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate (PubChem CID 3014171) has the molecular formula C10H4F19NO2 and a molecular weight of 531.11 g/mol. Its IUPAC name is azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate.

Molecular Properties

Compound Nameazanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
PubChem CID3014171
Molecular FormulaC10H4F19NO2
Molecular Weight531.11 g/mol
Exact Mass530.99
IUPAC Nameazanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
SMILESO=C([O-])C(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.[NH4+]
InChIInChI=1S/C10HF19O2.H3N/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);1H3
InChIKeyCQLZEWXXRJJDKG-UHFFFAOYSA-N
XLogP4.76
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.11
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate with MolForge

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Related Compounds

Ammonium perfluorooctanoate
CID 2776282
Sodium perfluorooctanoate
CID 23667657
Potassium perfluorooctanoate
CID 4253803
Pentadecafluorooctanoic acid ammonium salt
CID 62525
Silver(1+) perfluorooctanoate
CID 71079
Ammonium perfluorononanoate
CID 160734
Sodium perfluorodecanoate
CID 23685740
Perfluorooctanoate
CID 4986139
Perfluorononanoate
CID 3781988
Ammonium octadecafluoro-9-(trifluoromethyl)decanoate
CID 21115478
Sodium heptadecafluorononanoate
CID 23701733
Ammonium tridecafluoroheptanoate
CID 73555207

Frequently Asked Questions

What is the IUPAC name of azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate?
The IUPAC name of azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate (CID 3014171) is azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate.
What is the SMILES notation for azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate?
The canonical SMILES for azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate is O=C([O-])C(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.[NH4+].
What is the InChIKey of azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate?
The InChIKey is CQLZEWXXRJJDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF19O2.H3N/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);1H3.
What are the key properties of azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate?
azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate has a molecular weight of 531.11 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate is sourced from PubChem (CID 3014171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).