2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

C4H8ClF3N2O — CID 42913698

IUPAC2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCl.NCC(=O)NCC(F)(F)F
InChIInChI=1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H
InChIKeyDBNFKWRZLGVLSH-UHFFFAOYSA-N
MW192.57 g/mol
LogP0.05
Rot. Bonds2

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 42913698) has the molecular formula C4H8ClF3N2O and a molecular weight of 192.57 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID42913698
Molecular FormulaC4H8ClF3N2O
Molecular Weight192.57 g/mol
Exact Mass192.03
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCl.NCC(=O)NCC(F)(F)F
InChIInChI=1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H
InChIKeyDBNFKWRZLGVLSH-UHFFFAOYSA-N
XLogP0.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.57
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 42913698) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is Cl.NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is DBNFKWRZLGVLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O.ClH/c5-4(6,7)2-9-3(10)1-8;/h1-2,8H2,(H,9,10);1H.
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 192.57 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 42913698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).