azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate

C6H8F7NO3 — CID 88759405

IUPACazane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate
SMILESCCC(=O)OOC(F)(F)C(F)(F)C(F)(F)F.N
InChIInChI=1S/C6H5F7O3.H3N/c1-2-3(14)15-16-6(12,13)4(7,8)5(9,10)11;/h2H2,1H3;1H3
InChIKeyONUCOYFFEOHONR-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.82
Rot. Bonds4

About azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate

azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate (PubChem CID 88759405) has the molecular formula C6H8F7NO3 and a molecular weight of 275.12 g/mol. Its IUPAC name is azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate.

Molecular Properties

Compound Nameazane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate
PubChem CID88759405
Molecular FormulaC6H8F7NO3
Molecular Weight275.12 g/mol
Exact Mass275.04
IUPAC Nameazane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate
SMILESCCC(=O)OOC(F)(F)C(F)(F)C(F)(F)F.N
InChIInChI=1S/C6H5F7O3.H3N/c1-2-3(14)15-16-6(12,13)4(7,8)5(9,10)11;/h2H2,1H3;1H3
InChIKeyONUCOYFFEOHONR-UHFFFAOYSA-N
XLogP2.82
TPSA70.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,3-heptafluoropropyl octacosanoate
CID 54123311
1,1,1,2,3,3,3-heptafluoropropan-2-yl propanoate
CID 154086915
1,1,2,2,3,3,3-heptafluoropropyl 3-fluoro-3-oxopropanoate
CID 173484159
(2S,6R)-1,1,1,2,6,7,7,7-octafluoro-2,6-bis(1,1,2,2,3,3,3-heptafluoropropoxy)heptane-3,5-dione
CID 99650140
propanoyl 2,2,3,3,3-pentafluoropropanoate
CID 22105194
(2S)-N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
CID 162881836
hydroxy propaneperoxoate
CID 19088296
bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) propanedioate
CID 162538080
ethanol;2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 162534330
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl octanoate
CID 20979428
propanoyl 2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 87738153
propanoyl (113C)propanoate
CID 91179573

Frequently Asked Questions

What is the IUPAC name of azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate?
The IUPAC name of azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate (CID 88759405) is azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate.
What is the SMILES notation for azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate?
The canonical SMILES for azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate is CCC(=O)OOC(F)(F)C(F)(F)C(F)(F)F.N.
What is the InChIKey of azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate?
The InChIKey is ONUCOYFFEOHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O3.H3N/c1-2-3(14)15-16-6(12,13)4(7,8)5(9,10)11;/h2H2,1H3;1H3.
What are the key properties of azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate?
azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate has a molecular weight of 275.12 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1,2,2,3,3,3-heptafluoropropyl propaneperoxoate is sourced from PubChem (CID 88759405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).