1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone

C14H22FNO2Si — CID 167722886

IUPAC1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(N)c(O[Si](C)(C)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H22FNO2Si/c1-9(17)10-7-11(15)13(12(16)8-10)18-19(5,6)14(2,3)4/h7-8H,16H2,1-6H3
InChIKeyMXORRZXUSJXRDP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.99
Rot. Bonds3

About 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone

1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone (PubChem CID 167722886) has the molecular formula C14H22FNO2Si and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone
PubChem CID167722886
Molecular FormulaC14H22FNO2Si
Molecular Weight283.42 g/mol
Exact Mass283.14
IUPAC Name1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(N)c(O[Si](C)(C)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H22FNO2Si/c1-9(17)10-7-11(15)13(12(16)8-10)18-19(5,6)14(2,3)4/h7-8H,16H2,1-6H3
InChIKeyMXORRZXUSJXRDP-UHFFFAOYSA-N
XLogP3.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
1-[6-acetyl-9,10-bis[[tert-butyl(dimethyl)silyl]oxy]phenanthren-3-yl]ethanone
CID 10602113
1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-(difluoromethoxy)phenyl]ethanone
CID 167736306
1-(3-amino-5-bromo-4-methoxyphenyl)ethanone
CID 14734843
1-[3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone
CID 167714781
methyl 3-amino-2-[tert-butyl(dimethyl)silyl]oxy-5-chlorobenzoate
CID 167715726
4-amino-6-[tert-butyl(dimethyl)silyl]oxybenzene-1,3-dicarboxylic acid
CID 167716868
4-acetyloxy-3,5-difluorobenzoic acid
CID 139998591
1-[3-chloro-5-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 171005890
1-(3-amino-5-iodo-4-methoxyphenyl)ethanone
CID 171027159
3-[tert-butyl(dimethyl)silyl]oxy-4-fluoroaniline
CID 167728842

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone?
The IUPAC name of 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone (CID 167722886) is 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone is CC(=O)c1cc(N)c(O[Si](C)(C)C(C)(C)C)c(F)c1.
What is the InChIKey of 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone?
The InChIKey is MXORRZXUSJXRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2Si/c1-9(17)10-7-11(15)13(12(16)8-10)18-19(5,6)14(2,3)4/h7-8H,16H2,1-6H3.
What are the key properties of 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone?
1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone has a molecular weight of 283.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]ethanone is sourced from PubChem (CID 167722886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).