3-[(2,2-difluoroacetyl)amino]propanamide

C5H8F2N2O2 — CID 57293927

IUPAC3-[(2,2-difluoroacetyl)amino]propanamide
SMILESNC(=O)CCNC(=O)C(F)F
InChIInChI=1S/C5H8F2N2O2/c6-4(7)5(11)9-2-1-3(8)10/h4H,1-2H2,(H2,8,10)(H,9,11)
InChIKeyUEUAUXNHYXUXLD-UHFFFAOYSA-N
MW166.13 g/mol
LogP-0.76
Rot. Bonds4

About 3-[(2,2-difluoroacetyl)amino]propanamide

3-[(2,2-difluoroacetyl)amino]propanamide (PubChem CID 57293927) has the molecular formula C5H8F2N2O2 and a molecular weight of 166.13 g/mol. Its IUPAC name is 3-[(2,2-difluoroacetyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2,2-difluoroacetyl)amino]propanamide
PubChem CID57293927
Molecular FormulaC5H8F2N2O2
Molecular Weight166.13 g/mol
Exact Mass166.06
IUPAC Name3-[(2,2-difluoroacetyl)amino]propanamide
SMILESNC(=O)CCNC(=O)C(F)F
InChIInChI=1S/C5H8F2N2O2/c6-4(7)5(11)9-2-1-3(8)10/h4H,1-2H2,(H2,8,10)(H,9,11)
InChIKeyUEUAUXNHYXUXLD-UHFFFAOYSA-N
XLogP-0.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.13
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-[4-(2,2,2-trifluoro-acetylamino)-butyl]-acetamide
CID 581000
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N,N'-Bis(heptafluorobutyryl)putrescine
CID 614611
2,2,2-Trifluoro-n-propylacetamide
CID 580996
2,2,2-trifluoro-N-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butyl]acetamide
CID 389609
N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
CID 3817196
N-(3-aminopropyl)-2,2,2-trifluoroacetamide hydrochloride
CID 71752754
3,3'-Iminobispropanamide
CID 11024668
N,N'-(Iminodi-3,1-propanediyl)bis[2,2,2-trifluoroacetamide]
CID 11676468
2,2,2-trifluoro-N-(3-(methylamino)propyl)acetamide
CID 58587431
N-(3,3,3-trifluoropropyl)acetamide
CID 59218642
N-butyl-2,2-difluoropropanamide
CID 88580779

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroacetyl)amino]propanamide?
The IUPAC name of 3-[(2,2-difluoroacetyl)amino]propanamide (CID 57293927) is 3-[(2,2-difluoroacetyl)amino]propanamide.
What is the SMILES notation for 3-[(2,2-difluoroacetyl)amino]propanamide?
The canonical SMILES for 3-[(2,2-difluoroacetyl)amino]propanamide is NC(=O)CCNC(=O)C(F)F.
What is the InChIKey of 3-[(2,2-difluoroacetyl)amino]propanamide?
The InChIKey is UEUAUXNHYXUXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O2/c6-4(7)5(11)9-2-1-3(8)10/h4H,1-2H2,(H2,8,10)(H,9,11).
What are the key properties of 3-[(2,2-difluoroacetyl)amino]propanamide?
3-[(2,2-difluoroacetyl)amino]propanamide has a molecular weight of 166.13 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroacetyl)amino]propanamide is sourced from PubChem (CID 57293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).