3-(2,2-difluoroethylamino)propanamide

C5H10F2N2O — CID 60921376

IUPAC3-(2,2-difluoroethylamino)propanamide
SMILESNC(=O)CCNCC(F)F
InChIInChI=1S/C5H10F2N2O/c6-4(7)3-9-2-1-5(8)10/h4,9H,1-3H2,(H2,8,10)
InChIKeyFIIINDJUGMTKMC-UHFFFAOYSA-N
MW152.14 g/mol
LogP-0.28
Rot. Bonds5

About 3-(2,2-difluoroethylamino)propanamide

3-(2,2-difluoroethylamino)propanamide (PubChem CID 60921376) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)propanamide
PubChem CID60921376
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC Name3-(2,2-difluoroethylamino)propanamide
SMILESNC(=O)CCNCC(F)F
InChIInChI=1S/C5H10F2N2O/c6-4(7)3-9-2-1-5(8)10/h4,9H,1-3H2,(H2,8,10)
InChIKeyFIIINDJUGMTKMC-UHFFFAOYSA-N
XLogP-0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N-(3-aminopropyl)-2,2,2-trifluoroacetamide hydrochloride
CID 71752754
3,3'-Iminobispropanamide
CID 11024668
2,2,2-trifluoro-N-(3-(methylamino)propyl)acetamide
CID 58587431
3,3-Difluoro-1,5-diazocan-2-one
CID 132398589
3,3-Difluoro-1,5-diazonan-2-one
CID 138040488
3-(Ethylamino)propanamide
CID 22182168
1,3-Diaminopropane di-PFP
CID 600698
2,2,2-trifluoro-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 5115581
N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide
CID 5150913
N-(Trifluoroacetyl)-1,4-butanediamine
CID 10442375
2,2-difluoro-N-methyl-3-(methylamino)propanamide
CID 14093529

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)propanamide?
The IUPAC name of 3-(2,2-difluoroethylamino)propanamide (CID 60921376) is 3-(2,2-difluoroethylamino)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethylamino)propanamide?
The canonical SMILES for 3-(2,2-difluoroethylamino)propanamide is NC(=O)CCNCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)propanamide?
The InChIKey is FIIINDJUGMTKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c6-4(7)3-9-2-1-5(8)10/h4,9H,1-3H2,(H2,8,10).
What are the key properties of 3-(2,2-difluoroethylamino)propanamide?
3-(2,2-difluoroethylamino)propanamide has a molecular weight of 152.14 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)propanamide is sourced from PubChem (CID 60921376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).