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

C10H12F4N2OS — CID 114169039

IUPACN-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2OS/c1-6(17)16-7-2-3-18-8(7)4-15-5-10(13,14)9(11)12/h2-3,9,15H,4-5H2,1H3,(H,16,17)
InChIKeyXGLSOOAODYGQSU-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.70
Rot. Bonds6

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

N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 114169039) has the molecular formula C10H12F4N2OS and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide
PubChem CID114169039
Molecular FormulaC10H12F4N2OS
Molecular Weight284.28 g/mol
Exact Mass284.06
IUPAC NameN-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNCC(F)(F)C(F)F
InChIInChI=1S/C10H12F4N2OS/c1-6(17)16-7-2-3-18-8(7)4-15-5-10(13,14)9(11)12/h2-3,9,15H,4-5H2,1H3,(H,16,17)
InChIKeyXGLSOOAODYGQSU-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide (CID 114169039) is N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNCC(F)(F)C(F)F.
What is the InChIKey of N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is XGLSOOAODYGQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2OS/c1-6(17)16-7-2-3-18-8(7)4-15-5-10(13,14)9(11)12/h2-3,9,15H,4-5H2,1H3,(H,16,17).
What are the key properties of N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 284.28 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 114169039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).