lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane

C19H27AlF2LiNO3 — CID 158240272

IUPAClithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane
SMILESC.CON(C)C(=O)Cc1ccc(F)cc1.O=CCc1ccc(F)cc1.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H12FNO2.C8H7FO.CH4.Al.Li.4H/c1-12(14-2)10(13)7-8-3-5-9(11)6-4-8;9-8-3-1-7(2-4-8)5-6-10;;;;;;;/h3-6H,7H2,1-2H3;1-4,6H,5H2;1H4;;;;;;/q;;;;+1;;;;-1
InChIKeyBECVYOMEJAHLCY-UHFFFAOYSA-N
MW389.35 g/mol
LogP-0.48
Rot. Bonds5

About lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane

lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane (PubChem CID 158240272) has the molecular formula C19H27AlF2LiNO3 and a molecular weight of 389.35 g/mol. Its IUPAC name is lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane.

Molecular Properties

Compound Namelithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane
PubChem CID158240272
Molecular FormulaC19H27AlF2LiNO3
Molecular Weight389.35 g/mol
Exact Mass389.19
IUPAC Namelithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane
SMILESC.CON(C)C(=O)Cc1ccc(F)cc1.O=CCc1ccc(F)cc1.[AlH3].[H-].[Li+]
InChIInChI=1S/C10H12FNO2.C8H7FO.CH4.Al.Li.4H/c1-12(14-2)10(13)7-8-3-5-9(11)6-4-8;9-8-3-1-7(2-4-8)5-6-10;;;;;;;/h3-6H,7H2,1-2H3;1-4,6H,5H2;1H4;;;;;;/q;;;;+1;;;;-1
InChIKeyBECVYOMEJAHLCY-UHFFFAOYSA-N
XLogP-0.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane 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

2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
2-(4-fluorophenyl)acetaldehyde;propane
CID 142055613
N-methoxy-N-methyl-2-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]acetamide
CID 56806428
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]benzoate
CID 59331582
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
CID 19043704
2-[4-(4-fluorophenoxy)phenyl]acetaldehyde
CID 87855455
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
tert-butyl N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]phenyl]carbamate
CID 131868653
tert-butyl 2-[4-(2-oxoethyl)phenyl]acetate
CID 159057903
2-[4-amino-3-(aminomethyl)phenyl]-N-methoxy-N-methylacetamide
CID 174908949

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane?
The IUPAC name of lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane (CID 158240272) is lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane.
What is the SMILES notation for lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane?
The canonical SMILES for lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane is C.CON(C)C(=O)Cc1ccc(F)cc1.O=CCc1ccc(F)cc1.[AlH3].[H-].[Li+].
What is the InChIKey of lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane?
The InChIKey is BECVYOMEJAHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2.C8H7FO.CH4.Al.Li.4H/c1-12(14-2)10(13)7-8-3-5-9(11)6-4-8;9-8-3-1-7(2-4-8)5-6-10;;;;;;;/h3-6H,7H2,1-2H3;1-4,6H,5H2;1H4;;;;;;/q;;;;+1;;;;-1.
What are the key properties of lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane?
lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane has a molecular weight of 389.35 g/mol, XLogP of -0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane is sourced from PubChem (CID 158240272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).