2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H10BrF3N2OS — CID 60957827

IUPAC2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cc(Br)cs1)NCC(F)(F)F
InChIInChI=1S/C9H10BrF3N2OS/c10-6-1-7(17-4-6)2-14-3-8(16)15-5-9(11,12)13/h1,4,14H,2-3,5H2,(H,15,16)
InChIKeyURCPSFGHTNZTEZ-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.28
Rot. Bonds5

About 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60957827) has the molecular formula C9H10BrF3N2OS and a molecular weight of 331.16 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60957827
Molecular FormulaC9H10BrF3N2OS
Molecular Weight331.16 g/mol
Exact Mass329.96
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCc1cc(Br)cs1)NCC(F)(F)F
InChIInChI=1S/C9H10BrF3N2OS/c10-6-1-7(17-4-6)2-14-3-8(16)15-5-9(11,12)13/h1,4,14H,2-3,5H2,(H,15,16)
InChIKeyURCPSFGHTNZTEZ-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60957827) is 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCc1cc(Br)cs1)NCC(F)(F)F.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is URCPSFGHTNZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2OS/c10-6-1-7(17-4-6)2-14-3-8(16)15-5-9(11,12)13/h1,4,14H,2-3,5H2,(H,15,16).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 331.16 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60957827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).