3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide

C7H8F2N2OS — CID 126985309

IUPAC3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide
SMILESNCC(F)(F)C(=O)Nc1ccsc1
InChIInChI=1S/C7H8F2N2OS/c8-7(9,4-10)6(12)11-5-1-2-13-3-5/h1-3H,4,10H2,(H,11,12)
InChIKeyNWZVPLBOBNFOJR-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide

3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide (PubChem CID 126985309) has the molecular formula C7H8F2N2OS and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide
PubChem CID126985309
Molecular FormulaC7H8F2N2OS
Molecular Weight206.22 g/mol
Exact Mass206.03
IUPAC Name3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide
SMILESNCC(F)(F)C(=O)Nc1ccsc1
InChIInChI=1S/C7H8F2N2OS/c8-7(9,4-10)6(12)11-5-1-2-13-3-5/h1-3H,4,10H2,(H,11,12)
InChIKeyNWZVPLBOBNFOJR-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide?
The IUPAC name of 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide (CID 126985309) is 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide.
What is the SMILES notation for 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide?
The canonical SMILES for 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide is NCC(F)(F)C(=O)Nc1ccsc1.
What is the InChIKey of 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide?
The InChIKey is NWZVPLBOBNFOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS/c8-7(9,4-10)6(12)11-5-1-2-13-3-5/h1-3H,4,10H2,(H,11,12).
What are the key properties of 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide?
3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide has a molecular weight of 206.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoro-N-thiophen-3-ylpropanamide is sourced from PubChem (CID 126985309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).