N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride

C6H10ClF3N2O — CID 19910546

IUPACN-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride
SMILESCN(C(=O)C(F)(F)F)C1CNC1.Cl
InChIInChI=1S/C6H9F3N2O.ClH/c1-11(4-2-10-3-4)5(12)6(7,8)9;/h4,10H,2-3H2,1H3;1H
InChIKeyOJMWRQQHQVMGNU-UHFFFAOYSA-N
MW218.61 g/mol
LogP0.40
Rot. Bonds1

About N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride

N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride (PubChem CID 19910546) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride
PubChem CID19910546
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC NameN-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride
SMILESCN(C(=O)C(F)(F)F)C1CNC1.Cl
InChIInChI=1S/C6H9F3N2O.ClH/c1-11(4-2-10-3-4)5(12)6(7,8)9;/h4,10H,2-3H2,1H3;1H
InChIKeyOJMWRQQHQVMGNU-UHFFFAOYSA-N
XLogP0.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride (CID 19910546) is N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride is CN(C(=O)C(F)(F)F)C1CNC1.Cl.
What is the InChIKey of N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride?
The InChIKey is OJMWRQQHQVMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.ClH/c1-11(4-2-10-3-4)5(12)6(7,8)9;/h4,10H,2-3H2,1H3;1H.
What are the key properties of N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride?
N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride has a molecular weight of 218.61 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide;hydrochloride is sourced from PubChem (CID 19910546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).