N-[1-(difluoroamino)propyl]acetamide

C5H10F2N2O — CID 71378957

IUPACN-[1-(difluoroamino)propyl]acetamide
SMILESCCC(NC(C)=O)N(F)F
InChIInChI=1S/C5H10F2N2O/c1-3-5(9(6)7)8-4(2)10/h5H,3H2,1-2H3,(H,8,10)
InChIKeyHRDBJJLNHRHRQY-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.93
Rot. Bonds3

About N-[1-(difluoroamino)propyl]acetamide

N-[1-(difluoroamino)propyl]acetamide (PubChem CID 71378957) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is N-[1-(difluoroamino)propyl]acetamide.

Molecular Properties

Compound NameN-[1-(difluoroamino)propyl]acetamide
PubChem CID71378957
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC NameN-[1-(difluoroamino)propyl]acetamide
SMILESCCC(NC(C)=O)N(F)F
InChIInChI=1S/C5H10F2N2O/c1-3-5(9(6)7)8-4(2)10/h5H,3H2,1-2H3,(H,8,10)
InChIKeyHRDBJJLNHRHRQY-UHFFFAOYSA-N
XLogP0.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoroamino)propyl]acetamide?
The IUPAC name of N-[1-(difluoroamino)propyl]acetamide (CID 71378957) is N-[1-(difluoroamino)propyl]acetamide.
What is the SMILES notation for N-[1-(difluoroamino)propyl]acetamide?
The canonical SMILES for N-[1-(difluoroamino)propyl]acetamide is CCC(NC(C)=O)N(F)F.
What is the InChIKey of N-[1-(difluoroamino)propyl]acetamide?
The InChIKey is HRDBJJLNHRHRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c1-3-5(9(6)7)8-4(2)10/h5H,3H2,1-2H3,(H,8,10).
What are the key properties of N-[1-(difluoroamino)propyl]acetamide?
N-[1-(difluoroamino)propyl]acetamide has a molecular weight of 152.14 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoroamino)propyl]acetamide is sourced from PubChem (CID 71378957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).