N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride

C12H27F3N2O4Y3-2 — CID 159722561

IUPACN-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride
SMILESC.C.CC(=O)N(C)C(C)=O.CC(=O)[N-]C(C)=O.F.FF.[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C5H9NO2.C4H7NO2.2CH4.CH3.F2.FH.3Y/c1-4(7)6(3)5(2)8;1-3(6)5-4(2)7;;;;1-2;;;;/h1-3H3;1-2H3,(H,5,6,7);2*1H4;1H3;;1H;;;/q;;;;-1;;;;;/p-1
InChIKeyHOTKXJBKYPNPQB-UHFFFAOYSA-M
MW587.07 g/mol
LogP3.17
Rot. Bonds

About N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride

N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride (PubChem CID 159722561) has the molecular formula C12H27F3N2O4Y3-2 and a molecular weight of 587.07 g/mol. Its IUPAC name is N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride.

Molecular Properties

Compound NameN-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride
PubChem CID159722561
Molecular FormulaC12H27F3N2O4Y3-2
Molecular Weight587.07 g/mol
Exact Mass586.91
IUPAC NameN-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride
SMILESC.C.CC(=O)N(C)C(C)=O.CC(=O)[N-]C(C)=O.F.FF.[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C5H9NO2.C4H7NO2.2CH4.CH3.F2.FH.3Y/c1-4(7)6(3)5(2)8;1-3(6)5-4(2)7;;;;1-2;;;;/h1-3H3;1-2H3,(H,5,6,7);2*1H4;1H3;;1H;;;/q;;;;-1;;;;;/p-1
InChIKeyHOTKXJBKYPNPQB-UHFFFAOYSA-M
XLogP3.17
TPSA85.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.07
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;bis(yttrium)
CID 159532398
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
CID 160573879
lithium;N,N-dimethylacetamide;chloride
CID 87129072
N-but-2-en-2-yl-N-methylacetamide
CID 123872311
azane;N,N-dimethylacetamide
CID 161145572
bis(N-[3-[acetyl(methyl)amino]-2,3-dimethylbutan-2-yl]-N-methylacetamide);bis(barium(2+));ethane;hydride;methanamine;methane
CID 159646967
N-acetyl-N-methylpropanamide;ethane
CID 143328121
N-methyl-N-(trihydroxymethyl)acetamide
CID 19908717
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one
CID 158433612
N,N-dimethylacetamide;formaldehyde
CID 54040691
N,N-dimethylacetamide;molecular iodine
CID 158534416

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride?
The IUPAC name of N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride (CID 159722561) is N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride.
What is the SMILES notation for N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride?
The canonical SMILES for N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride is C.C.CC(=O)N(C)C(C)=O.CC(=O)[N-]C(C)=O.F.FF.[CH3-].[Y].[Y].[Y].
What is the InChIKey of N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride?
The InChIKey is HOTKXJBKYPNPQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO2.C4H7NO2.2CH4.CH3.F2.FH.3Y/c1-4(7)6(3)5(2)8;1-3(6)5-4(2)7;;;;1-2;;;;/h1-3H3;1-2H3,(H,5,6,7);2*1H4;1H3;;1H;;;/q;;;;-1;;;;;/p-1.
What are the key properties of N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride?
N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride has a molecular weight of 587.07 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-methylacetamide;carbanide;diacetylazanide;methane;molecular fluorine;tris(yttrium);hydrofluoride is sourced from PubChem (CID 159722561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).