N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide

C9H11F3N2OS — CID 66385890

IUPACN-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-6(15)14-7-2-3-16-8(7)4-13-5-9(10,11)12/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyRHUJLMSKRLQHOP-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.36
Rot. Bonds4

About N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385890) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66385890
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-6(15)14-7-2-3-16-8(7)4-13-5-9(10,11)12/h2-3,13H,4-5H2,1H3,(H,14,15)
InChIKeyRHUJLMSKRLQHOP-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide (CID 66385890) is N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC(F)(F)F.
What is the InChIKey of N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is RHUJLMSKRLQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-6(15)14-7-2-3-16-8(7)4-13-5-9(10,11)12/h2-3,13H,4-5H2,1H3,(H,14,15).
What are the key properties of N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 252.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).