N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C10H11BrF3NO2S — CID 113223570

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-15(3-8-2-7(11)5-18-8)9(16)4-17-6-10(12,13)14/h2,5H,3-4,6H2,1H3
InChIKeyLLYZQZYCAPOKLY-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.05
Rot. Bonds5

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 113223570) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID113223570
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-15(3-8-2-7(11)5-18-8)9(16)4-17-6-10(12,13)14/h2,5H,3-4,6H2,1H3
InChIKeyLLYZQZYCAPOKLY-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 113223570) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CN(Cc1cc(Br)cs1)C(=O)COCC(F)(F)F.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is LLYZQZYCAPOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c1-15(3-8-2-7(11)5-18-8)9(16)4-17-6-10(12,13)14/h2,5H,3-4,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 346.17 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 113223570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).