N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide

C14H27F3INO2Si — CID 22405495

IUPACN-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide
SMILESCC(C)C(CC(F)(F)F)(NC(=O)CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27F3INO2Si/c1-10(2)13(9-14(15,16)17,19-11(20)8-18)21-22(6,7)12(3,4)5/h10H,8-9H2,1-7H3,(H,19,20)
InChIKeyYEXZYJKWSXHFRT-UHFFFAOYSA-N
MW453.36 g/mol
LogP4.86
Rot. Bonds6

About N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide

N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide (PubChem CID 22405495) has the molecular formula C14H27F3INO2Si and a molecular weight of 453.36 g/mol. Its IUPAC name is N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide
PubChem CID22405495
Molecular FormulaC14H27F3INO2Si
Molecular Weight453.36 g/mol
Exact Mass453.08
IUPAC NameN-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide
SMILESCC(C)C(CC(F)(F)F)(NC(=O)CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H27F3INO2Si/c1-10(2)13(9-14(15,16)17,19-11(20)8-18)21-22(6,7)12(3,4)5/h10H,8-9H2,1-7H3,(H,19,20)
InChIKeyYEXZYJKWSXHFRT-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide?
The IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide (CID 22405495) is N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide.
What is the SMILES notation for N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide?
The canonical SMILES for N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide is CC(C)C(CC(F)(F)F)(NC(=O)CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide?
The InChIKey is YEXZYJKWSXHFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3INO2Si/c1-10(2)13(9-14(15,16)17,19-11(20)8-18)21-22(6,7)12(3,4)5/h10H,8-9H2,1-7H3,(H,19,20).
What are the key properties of N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide?
N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide has a molecular weight of 453.36 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-iodoacetamide is sourced from PubChem (CID 22405495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).