2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide

C6H13F2N3O — CID 54323555

IUPAC2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide
SMILESNCCC(NC(=O)CN)C(F)F
InChIInChI=1S/C6H13F2N3O/c7-6(8)4(1-2-9)11-5(12)3-10/h4,6H,1-3,9-10H2,(H,11,12)
InChIKeySTIJYYWTCOUDJZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.96
Rot. Bonds5

About 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide

2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide (PubChem CID 54323555) has the molecular formula C6H13F2N3O and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide
PubChem CID54323555
Molecular FormulaC6H13F2N3O
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide
SMILESNCCC(NC(=O)CN)C(F)F
InChIInChI=1S/C6H13F2N3O/c7-6(8)4(1-2-9)11-5(12)3-10/h4,6H,1-3,9-10H2,(H,11,12)
InChIKeySTIJYYWTCOUDJZ-UHFFFAOYSA-N
XLogP-0.96
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide?
The IUPAC name of 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide (CID 54323555) is 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide is NCCC(NC(=O)CN)C(F)F.
What is the InChIKey of 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide?
The InChIKey is STIJYYWTCOUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O/c7-6(8)4(1-2-9)11-5(12)3-10/h4,6H,1-3,9-10H2,(H,11,12).
What are the key properties of 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide?
2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide is sourced from PubChem (CID 54323555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).