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

C7H5BrF3NOS — CID 62492525

IUPACN-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NOS/c8-4-1-5(14-3-4)2-12-6(13)7(9,10)11/h1,3H,2H2,(H,12,13)
InChIKeyNKELLSOXLQNWED-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.69
Rot. Bonds2

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

N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 62492525) has the molecular formula C7H5BrF3NOS and a molecular weight of 288.09 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID62492525
Molecular FormulaC7H5BrF3NOS
Molecular Weight288.09 g/mol
Exact Mass286.92
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc(Br)cs1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NOS/c8-4-1-5(14-3-4)2-12-6(13)7(9,10)11/h1,3H,2H2,(H,12,13)
InChIKeyNKELLSOXLQNWED-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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Related Compounds

2-Bromo-N-[(thiophen-2-yl)methyl]acetamide
CID 16641278
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
3,3,3-trifluoro-N-(thiophen-2-ylmethyl)propanamide
CID 45808089
2-[[2-[(4-Bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364291
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 81489561
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3327556
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 58458778
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
5-bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 60630264
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
4-Bromo-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 139023326
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 62492525) is N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is O=C(NCc1cc(Br)cs1)C(F)(F)F.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is NKELLSOXLQNWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NOS/c8-4-1-5(14-3-4)2-12-6(13)7(9,10)11/h1,3H,2H2,(H,12,13).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(4-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-[(4-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62492525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).