azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate

C5H7F8NO — CID 162396568

IUPACazanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
SMILES[NH4+].[O-]CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F8O.H3N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14;/h2H,1H2;1H3/q-1;/p+1
InChIKeyPLEVAVBPYGQMLA-UHFFFAOYSA-O
MW249.10 g/mol
LogP1.89
Rot. Bonds4

About azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate

azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate (PubChem CID 162396568) has the molecular formula C5H7F8NO and a molecular weight of 249.10 g/mol. Its IUPAC name is azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate.

Molecular Properties

Compound Nameazanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
PubChem CID162396568
Molecular FormulaC5H7F8NO
Molecular Weight249.10 g/mol
Exact Mass249.04
IUPAC Nameazanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate
SMILES[NH4+].[O-]CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F8O.H3N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14;/h2H,1H2;1H3/q-1;/p+1
InChIKeyPLEVAVBPYGQMLA-UHFFFAOYSA-O
XLogP1.89
TPSA59.56 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
The IUPAC name of azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate (CID 162396568) is azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate.
What is the SMILES notation for azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
The canonical SMILES for azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate is [NH4+].[O-]CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
The InChIKey is PLEVAVBPYGQMLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H3F8O.H3N/c6-2(7)4(10,11)5(12,13)3(8,9)1-14;/h2H,1H2;1H3/q-1;/p+1.
What are the key properties of azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate?
azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate has a molecular weight of 249.10 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2,2,3,3,4,4,5,5-octafluoropentan-1-olate is sourced from PubChem (CID 162396568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).