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

C8H6F13NO2 — CID 173106088

IUPACazane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid
SMILESN.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H3F13O2.H3N/c9-1-3(10,11)5(14,15)7(18,19)8(20,21)6(16,17)4(12,13)2(22)23;/h1H2,(H,22,23);1H3
InChIKeyRCOKVKURDKNPQJ-UHFFFAOYSA-N
MW395.12 g/mol
LogP4.01
Rot. Bonds7

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

azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid (PubChem CID 173106088) has the molecular formula C8H6F13NO2 and a molecular weight of 395.12 g/mol. Its IUPAC name is azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid.

Molecular Properties

Compound Nameazane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid
PubChem CID173106088
Molecular FormulaC8H6F13NO2
Molecular Weight395.12 g/mol
Exact Mass395.02
IUPAC Nameazane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid
SMILESN.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C8H3F13O2.H3N/c9-1-3(10,11)5(14,15)7(18,19)8(20,21)6(16,17)4(12,13)2(22)23;/h1H2,(H,22,23);1H3
InChIKeyRCOKVKURDKNPQJ-UHFFFAOYSA-N
XLogP4.01
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 54.01
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-decafluoroheptanedioic acid
CID 4118201
2,2,3,3,4,4,5,5,6,6,8,8,8-tridecafluorooctanoic acid
CID 163324893
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
azane;bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid)
CID 175748191
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
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
CID 87197616
CID 87197616
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
CID 87771874
CID 87771874
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 170845067
alumane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 175046918

Frequently Asked Questions

What is the IUPAC name of azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid?
The IUPAC name of azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid (CID 173106088) is azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid.
What is the SMILES notation for azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid?
The canonical SMILES for azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid is N.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid?
The InChIKey is RCOKVKURDKNPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O2.H3N/c9-1-3(10,11)5(14,15)7(18,19)8(20,21)6(16,17)4(12,13)2(22)23;/h1H2,(H,22,23);1H3.
What are the key properties of azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid?
azane;2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorooctanoic acid has a molecular weight of 395.12 g/mol, XLogP of 4.01, 7 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-tridecafluorooctanoic acid is sourced from PubChem (CID 173106088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).