2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide

C8H10F2N2OS — CID 130164843

IUPAC2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide
SMILESNC(CC(F)F)C(=O)Nc1ccsc1
InChIInChI=1S/C8H10F2N2OS/c9-7(10)3-6(11)8(13)12-5-1-2-14-4-5/h1-2,4,6-7H,3,11H2,(H,12,13)
InChIKeyIPWTWWZMEQKJCG-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.67
Rot. Bonds4

About 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide

2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide (PubChem CID 130164843) has the molecular formula C8H10F2N2OS and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide
PubChem CID130164843
Molecular FormulaC8H10F2N2OS
Molecular Weight220.24 g/mol
Exact Mass220.05
IUPAC Name2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide
SMILESNC(CC(F)F)C(=O)Nc1ccsc1
InChIInChI=1S/C8H10F2N2OS/c9-7(10)3-6(11)8(13)12-5-1-2-14-4-5/h1-2,4,6-7H,3,11H2,(H,12,13)
InChIKeyIPWTWWZMEQKJCG-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide?
The IUPAC name of 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide (CID 130164843) is 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide.
What is the SMILES notation for 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide?
The canonical SMILES for 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide is NC(CC(F)F)C(=O)Nc1ccsc1.
What is the InChIKey of 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide?
The InChIKey is IPWTWWZMEQKJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2OS/c9-7(10)3-6(11)8(13)12-5-1-2-14-4-5/h1-2,4,6-7H,3,11H2,(H,12,13).
What are the key properties of 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide?
2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide has a molecular weight of 220.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoro-N-thiophen-3-ylbutanamide is sourced from PubChem (CID 130164843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).