2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium

C8H16N2O3PRf- — CID 173481454

IUPAC2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium
SMILESCP(OCCC#N)OCCOCC[NH-].[Rf]
InChIInChI=1S/C8H16N2O3P.Rf/c1-14(12-5-2-3-9)13-8-7-11-6-4-10;/h10H,2,4-8H2,1H3;/q-1;
InChIKeyFVKMBGQRBXXPMH-UHFFFAOYSA-N
MW486.20 g/mol
LogP1.94
Rot. Bonds9

About 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium

2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium (PubChem CID 173481454) has the molecular formula C8H16N2O3PRf- and a molecular weight of 486.20 g/mol. Its IUPAC name is 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium.

Molecular Properties

Compound Name2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium
PubChem CID173481454
Molecular FormulaC8H16N2O3PRf-
Molecular Weight486.20 g/mol
Exact Mass486.21
IUPAC Name2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium
SMILESCP(OCCC#N)OCCOCC[NH-].[Rf]
InChIInChI=1S/C8H16N2O3P.Rf/c1-14(12-5-2-3-9)13-8-7-11-6-4-10;/h10H,2,4-8H2,1H3;/q-1;
InChIKeyFVKMBGQRBXXPMH-UHFFFAOYSA-N
XLogP1.94
TPSA75.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(methylaminomethoxy)phosphanyl]oxypropanenitrile
CID 58689682
3-[[3-butoxy-2,2-bis(butoxymethyl)propoxy]-methylphosphanyl]oxypropanenitrile
CID 158870030
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
3-[2-(2-methylpropoxy)ethoxy]propanenitrile
CID 106447606
3-[2-[2-[2-(2-cyanoethoxy)ethoxymethoxy]ethoxymethoxy]ethoxy]propanenitrile
CID 151275278
3-[2-cyanoethoxy(2-cyanoethyl)phosphanyl]oxypropanenitrile
CID 11770122
2-cyanoethyl dipropan-2-yl phosphite
CID 22619650
tert-butyl(2-cyanoethoxy)phosphinous acid
CID 90741308
2-cyanoethoxy-N-methylphosphonamidous acid
CID 89056446
3-methylperoxypropanenitrile
CID 22946466
2-[2-(2-hydroxyethoxy)ethoxy]ethylazanide;ytterbium
CID 58924704

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium?
The IUPAC name of 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium (CID 173481454) is 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium.
What is the SMILES notation for 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium?
The canonical SMILES for 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium is CP(OCCC#N)OCCOCC[NH-].[Rf].
What is the InChIKey of 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium?
The InChIKey is FVKMBGQRBXXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3P.Rf/c1-14(12-5-2-3-9)13-8-7-11-6-4-10;/h10H,2,4-8H2,1H3;/q-1;.
What are the key properties of 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium?
2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium has a molecular weight of 486.20 g/mol, XLogP of 1.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-cyanoethoxy(methyl)phosphanyl]oxyethoxy]ethylazanide;rutherfordium is sourced from PubChem (CID 173481454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).