N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide

C10H11BrF3NOS — CID 115190381

IUPACN-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF3NOS/c1-9(2,6-3-4-7(11)17-6)5-15-8(16)10(12,13)14/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyFGQAHVYNYILVKB-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.47
Rot. Bonds3

About N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide

N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide (PubChem CID 115190381) has the molecular formula C10H11BrF3NOS and a molecular weight of 330.17 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
PubChem CID115190381
Molecular FormulaC10H11BrF3NOS
Molecular Weight330.17 g/mol
Exact Mass328.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(CNC(=O)C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF3NOS/c1-9(2,6-3-4-7(11)17-6)5-15-8(16)10(12,13)14/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyFGQAHVYNYILVKB-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168950860
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 62490600
N-[(5-bromothiophen-2-yl)methyl]-4,4,4-trifluorobutanamide
CID 65711758
2,2,2-trifluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78962853
N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroacetamide
CID 103513835
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103515241
2,2-difluoro-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 103515850
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 103606950
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732331
N-[(5-bromothiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 103732642
2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine
CID 105425165

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide (CID 115190381) is N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide is CC(C)(CNC(=O)C(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
The InChIKey is FGQAHVYNYILVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NOS/c1-9(2,6-3-4-7(11)17-6)5-15-8(16)10(12,13)14/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide?
N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide has a molecular weight of 330.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 115190381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).