3-amino-N-(2,2-difluoroethyl)propanamide

C5H10F2N2O — CID 59383119

IUPAC3-amino-N-(2,2-difluoroethyl)propanamide
SMILESNCCC(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O/c6-4(7)3-9-5(10)1-2-8/h4H,1-3,8H2,(H,9,10)
InChIKeyIEMNEZPQVIZTGD-UHFFFAOYSA-N
MW152.14 g/mol
LogP-0.28
Rot. Bonds4

About 3-amino-N-(2,2-difluoroethyl)propanamide

3-amino-N-(2,2-difluoroethyl)propanamide (PubChem CID 59383119) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)propanamide
PubChem CID59383119
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC Name3-amino-N-(2,2-difluoroethyl)propanamide
SMILESNCCC(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O/c6-4(7)3-9-5(10)1-2-8/h4H,1-3,8H2,(H,9,10)
InChIKeyIEMNEZPQVIZTGD-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)propanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)propanamide (CID 59383119) is 3-amino-N-(2,2-difluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)propanamide is NCCC(=O)NCC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)propanamide?
The InChIKey is IEMNEZPQVIZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c6-4(7)3-9-5(10)1-2-8/h4H,1-3,8H2,(H,9,10).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)propanamide?
3-amino-N-(2,2-difluoroethyl)propanamide has a molecular weight of 152.14 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)propanamide is sourced from PubChem (CID 59383119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).