azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid

C9H5F16NO2 — CID 122236832

IUPACazane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
SMILESN.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
InChIInChI=1S/C9H2F16O2.H3N/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27;/h1H,(H,26,27);1H3
InChIKeyWCOWRYUAIXGAPL-UHFFFAOYSA-N
MW463.11 g/mol
LogP4.95
Rot. Bonds8

About azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid

azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid (PubChem CID 122236832) has the molecular formula C9H5F16NO2 and a molecular weight of 463.11 g/mol. Its IUPAC name is azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid.

Molecular Properties

Compound Nameazane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
PubChem CID122236832
Molecular FormulaC9H5F16NO2
Molecular Weight463.11 g/mol
Exact Mass463.01
IUPAC Nameazane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
SMILESN.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
InChIInChI=1S/C9H2F16O2.H3N/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27;/h1H,(H,26,27);1H3
InChIKeyWCOWRYUAIXGAPL-UHFFFAOYSA-N
XLogP4.95
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.11
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorodecanoic acid
CID 23136187
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorononoxy)hexanoic acid
CID 163324597
2,2,3,3,4,4,5,5,6,6-decafluoroheptanedioic acid
CID 4118201
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide
CID 2776135
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononaneperoxoate
CID 23112153
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
CID 122236803
2,2,3,3,4,4-hexafluorobutanoic acid;silver
CID 165155823
azane;bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid)
CID 175748191
fluoro 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-triacontafluorohexadecanoate
CID 87145953
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 170845067

Frequently Asked Questions

What is the IUPAC name of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid?
The IUPAC name of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid (CID 122236832) is azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid.
What is the SMILES notation for azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid?
The canonical SMILES for azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid is N.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.
What is the InChIKey of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid?
The InChIKey is WCOWRYUAIXGAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F16O2.H3N/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27;/h1H,(H,26,27);1H3.
What are the key properties of azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid?
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid has a molecular weight of 463.11 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid is sourced from PubChem (CID 122236832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).