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

C8H7BrF3NOS — CID 103606950

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NOS/c9-6-2-1-5(15-6)3-4-13-7(14)8(10,11)12/h1-2H,3-4H2,(H,13,14)
InChIKeyXTBSTQHMISXFTA-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.73
Rot. Bonds3

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

N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 103606950) has the molecular formula C8H7BrF3NOS and a molecular weight of 302.12 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID103606950
Molecular FormulaC8H7BrF3NOS
Molecular Weight302.12 g/mol
Exact Mass300.94
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCc1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H7BrF3NOS/c9-6-2-1-5(15-6)3-4-13-7(14)8(10,11)12/h1-2H,3-4H2,(H,13,14)
InChIKeyXTBSTQHMISXFTA-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[2-(thiophen-2-yl)ethyl]acetamide
CID 57130484
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide hydrochloride
CID 91663076
N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide
CID 134967095
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
Thienoamphetamine TFA
CID 12519430
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
N-[(5-bromo-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
CID 168950860
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18207605
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 18227928
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 32774703
N-[(5-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 33170874

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide (CID 103606950) is N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCc1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is XTBSTQHMISXFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NOS/c9-6-2-1-5(15-6)3-4-13-7(14)8(10,11)12/h1-2H,3-4H2,(H,13,14).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 302.12 g/mol, XLogP of 2.73, 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)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103606950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).