2-(2,2-difluoroethylamino)acetamide;hydrochloride

C4H9ClF2N2O — CID 165477993

IUPAC2-(2,2-difluoroethylamino)acetamide;hydrochloride
SMILESCl.NC(=O)CNCC(F)F
InChIInChI=1S/C4H8F2N2O.ClH/c5-3(6)1-8-2-4(7)9;/h3,8H,1-2H2,(H2,7,9);1H
InChIKeyXHYNSKFNYACMEC-UHFFFAOYSA-N
MW174.58 g/mol
LogP-0.25
Rot. Bonds4

About 2-(2,2-difluoroethylamino)acetamide;hydrochloride

2-(2,2-difluoroethylamino)acetamide;hydrochloride (PubChem CID 165477993) has the molecular formula C4H9ClF2N2O and a molecular weight of 174.58 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)acetamide;hydrochloride
PubChem CID165477993
Molecular FormulaC4H9ClF2N2O
Molecular Weight174.58 g/mol
Exact Mass174.04
IUPAC Name2-(2,2-difluoroethylamino)acetamide;hydrochloride
SMILESCl.NC(=O)CNCC(F)F
InChIInChI=1S/C4H8F2N2O.ClH/c5-3(6)1-8-2-4(7)9;/h3,8H,1-2H2,(H2,7,9);1H
InChIKeyXHYNSKFNYACMEC-UHFFFAOYSA-N
XLogP-0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)acetamide;hydrochloride?
The IUPAC name of 2-(2,2-difluoroethylamino)acetamide;hydrochloride (CID 165477993) is 2-(2,2-difluoroethylamino)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,2-difluoroethylamino)acetamide;hydrochloride?
The canonical SMILES for 2-(2,2-difluoroethylamino)acetamide;hydrochloride is Cl.NC(=O)CNCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)acetamide;hydrochloride?
The InChIKey is XHYNSKFNYACMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O.ClH/c5-3(6)1-8-2-4(7)9;/h3,8H,1-2H2,(H2,7,9);1H.
What are the key properties of 2-(2,2-difluoroethylamino)acetamide;hydrochloride?
2-(2,2-difluoroethylamino)acetamide;hydrochloride has a molecular weight of 174.58 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)acetamide;hydrochloride is sourced from PubChem (CID 165477993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).