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

C7H5BrF3NOS — CID 59781614

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NOS/c8-5-2-1-4(14-5)3-12-6(13)7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyQNTIWKCTYLSJLS-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.69
Rot. Bonds2

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

N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 59781614) has the molecular formula C7H5BrF3NOS and a molecular weight of 288.09 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID59781614
Molecular FormulaC7H5BrF3NOS
Molecular Weight288.09 g/mol
Exact Mass286.92
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NOS/c8-5-2-1-4(14-5)3-12-6(13)7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyQNTIWKCTYLSJLS-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 59781614) is N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is O=C(NCc1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is QNTIWKCTYLSJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NOS/c8-5-2-1-4(14-5)3-12-6(13)7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 288.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59781614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).