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

C9H12F2N2OS — CID 115405702

IUPACN-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)F
InChIInChI=1S/C9H12F2N2OS/c1-6(14)13-7-2-3-15-8(7)4-12-5-9(10)11/h2-3,9,12H,4-5H2,1H3,(H,13,14)
InChIKeySYMJARFXFFBPJT-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.06
Rot. Bonds5

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

N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 115405702) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide
PubChem CID115405702
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC NameN-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)F
InChIInChI=1S/C9H12F2N2OS/c1-6(14)13-7-2-3-15-8(7)4-12-5-9(10)11/h2-3,9,12H,4-5H2,1H3,(H,13,14)
InChIKeySYMJARFXFFBPJT-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.06
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-difluoroethylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide (CID 115405702) is N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC(F)F.
What is the InChIKey of N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is SYMJARFXFFBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-6(14)13-7-2-3-15-8(7)4-12-5-9(10)11/h2-3,9,12H,4-5H2,1H3,(H,13,14).
What are the key properties of N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 234.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-difluoroethylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 115405702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).