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

C5H10ClF3N2O — CID 139026607

IUPAC2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCNCC(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C5H9F3N2O.ClH/c1-9-2-4(11)10-3-5(6,7)8;/h9H,2-3H2,1H3,(H,10,11);1H
InChIKeyAINZZWPTWXYFMS-UHFFFAOYSA-N
MW206.59 g/mol
LogP0.31
Rot. Bonds3

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

2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 139026607) has the molecular formula C5H10ClF3N2O and a molecular weight of 206.59 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID139026607
Molecular FormulaC5H10ClF3N2O
Molecular Weight206.59 g/mol
Exact Mass206.04
IUPAC Name2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCNCC(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C5H9F3N2O.ClH/c1-9-2-4(11)10-3-5(6,7)8;/h9H,2-3H2,1H3,(H,10,11);1H
InChIKeyAINZZWPTWXYFMS-UHFFFAOYSA-N
XLogP0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.59
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 139026607) is 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is CNCC(=O)NCC(F)(F)F.Cl.
What is the InChIKey of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is AINZZWPTWXYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O.ClH/c1-9-2-4(11)10-3-5(6,7)8;/h9H,2-3H2,1H3,(H,10,11);1H.
What are the key properties of 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 206.59 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 139026607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).