2-amino-3,3-difluorobutanamide

C4H8F2N2O — CID 156620403

IUPAC2-amino-3,3-difluorobutanamide
SMILESCC(F)(F)C(N)C(N)=O
InChIInChI=1S/C4H8F2N2O/c1-4(5,6)2(7)3(8)9/h2H,7H2,1H3,(H2,8,9)
InChIKeyUMXLNNBATREFOP-UHFFFAOYSA-N
MW138.12 g/mol
LogP-0.55
Rot. Bonds2

About 2-amino-3,3-difluorobutanamide

2-amino-3,3-difluorobutanamide (PubChem CID 156620403) has the molecular formula C4H8F2N2O and a molecular weight of 138.12 g/mol. Its IUPAC name is 2-amino-3,3-difluorobutanamide.

Molecular Properties

Compound Name2-amino-3,3-difluorobutanamide
PubChem CID156620403
Molecular FormulaC4H8F2N2O
Molecular Weight138.12 g/mol
Exact Mass138.06
IUPAC Name2-amino-3,3-difluorobutanamide
SMILESCC(F)(F)C(N)C(N)=O
InChIInChI=1S/C4H8F2N2O/c1-4(5,6)2(7)3(8)9/h2H,7H2,1H3,(H2,8,9)
InChIKeyUMXLNNBATREFOP-UHFFFAOYSA-N
XLogP-0.55
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-difluorobutanamide?
The IUPAC name of 2-amino-3,3-difluorobutanamide (CID 156620403) is 2-amino-3,3-difluorobutanamide.
What is the SMILES notation for 2-amino-3,3-difluorobutanamide?
The canonical SMILES for 2-amino-3,3-difluorobutanamide is CC(F)(F)C(N)C(N)=O.
What is the InChIKey of 2-amino-3,3-difluorobutanamide?
The InChIKey is UMXLNNBATREFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O/c1-4(5,6)2(7)3(8)9/h2H,7H2,1H3,(H2,8,9).
What are the key properties of 2-amino-3,3-difluorobutanamide?
2-amino-3,3-difluorobutanamide has a molecular weight of 138.12 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-difluorobutanamide is sourced from PubChem (CID 156620403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).