3-(1,1-difluoroethylamino)propanamide

C5H10F2N2O — CID 162133610

IUPAC3-(1,1-difluoroethylamino)propanamide
SMILESCC(F)(F)NCCC(N)=O
InChIInChI=1S/C5H10F2N2O/c1-5(6,7)9-3-2-4(8)10/h9H,2-3H2,1H3,(H2,8,10)
InChIKeyZIWYGXUQDQRXPF-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.06
Rot. Bonds4

About 3-(1,1-difluoroethylamino)propanamide

3-(1,1-difluoroethylamino)propanamide (PubChem CID 162133610) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is 3-(1,1-difluoroethylamino)propanamide.

Molecular Properties

Compound Name3-(1,1-difluoroethylamino)propanamide
PubChem CID162133610
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC Name3-(1,1-difluoroethylamino)propanamide
SMILESCC(F)(F)NCCC(N)=O
InChIInChI=1S/C5H10F2N2O/c1-5(6,7)9-3-2-4(8)10/h9H,2-3H2,1H3,(H2,8,10)
InChIKeyZIWYGXUQDQRXPF-UHFFFAOYSA-N
XLogP0.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-3-oxopropyl)amino]-2-methylpropanamide
CID 61220573
3-(aminomethylamino)propanamide
CID 123274483
3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
CID 106176150
3-[(2-methylpropan-2-yl)oxymethylamino]propanamide
CID 130284943
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
3-(propan-2-ylamino)propanamide
CID 18768059
ethane;3-(ethylamino)propanamide
CID 156743022
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
N-(3-amino-3-oxopropyl)-2,2-dimethylpentanamide
CID 130272228
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-methylbutanamide
CID 79011495
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethylamino)propanamide?
The IUPAC name of 3-(1,1-difluoroethylamino)propanamide (CID 162133610) is 3-(1,1-difluoroethylamino)propanamide.
What is the SMILES notation for 3-(1,1-difluoroethylamino)propanamide?
The canonical SMILES for 3-(1,1-difluoroethylamino)propanamide is CC(F)(F)NCCC(N)=O.
What is the InChIKey of 3-(1,1-difluoroethylamino)propanamide?
The InChIKey is ZIWYGXUQDQRXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c1-5(6,7)9-3-2-4(8)10/h9H,2-3H2,1H3,(H2,8,10).
What are the key properties of 3-(1,1-difluoroethylamino)propanamide?
3-(1,1-difluoroethylamino)propanamide has a molecular weight of 152.14 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethylamino)propanamide is sourced from PubChem (CID 162133610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).