2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H8BrF3N2OS — CID 115380573

IUPAC2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C8H8BrF3N2OS/c9-4-1-2-16-6(4)5(7(13)15)14-3-8(10,11)12/h1-2,5,14H,3H2,(H2,13,15)
InChIKeyAXDGBKRCJBKTNR-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.19
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 115380573) has the molecular formula C8H8BrF3N2OS and a molecular weight of 317.13 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID115380573
Molecular FormulaC8H8BrF3N2OS
Molecular Weight317.13 g/mol
Exact Mass315.95
IUPAC Name2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C8H8BrF3N2OS/c9-4-1-2-16-6(4)5(7(13)15)14-3-8(10,11)12/h1-2,5,14H,3H2,(H2,13,15)
InChIKeyAXDGBKRCJBKTNR-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-2-(cyclopentylamino)acetamide
CID 115380568
2-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 116684979
3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
CID 80536907
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
CID 115380650
(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
CID 115380713
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 54977382
N-[1-(3-bromothiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327100
2-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892942

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 115380573) is 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is AXDGBKRCJBKTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2OS/c9-4-1-2-16-6(4)5(7(13)15)14-3-8(10,11)12/h1-2,5,14H,3H2,(H2,13,15).
What are the key properties of 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 317.13 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 115380573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).