N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride

C9H16ClF3N2O — CID 23051775

IUPACN-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride
SMILESCCN(CC1(C)CNC1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-3-14(7(15)9(10,11)12)6-8(2)4-13-5-8;/h13H,3-6H2,1-2H3;1H
InChIKeyMVBOOIHDYIGMEC-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.43
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride

N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride (PubChem CID 23051775) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride
PubChem CID23051775
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride
SMILESCCN(CC1(C)CNC1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-3-14(7(15)9(10,11)12)6-8(2)4-13-5-8;/h13H,3-6H2,1-2H3;1H
InChIKeyMVBOOIHDYIGMEC-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(azetidin-3-yl)methyl]-2,2,2-trifluoroacetamide hydrochloride
CID 23051792
[(3-Methyl-3-azetidinyl)methyl]trifluoroacetamide
CID 14852457
3-Methyl-3-trifluoroacetamidomethylazetidine hydrochloride
CID 14852458
Dimethyl-[3-(methylamino)propyl]-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 58587447
N-(3-Ethyl-azetidin-3-ylmethyl)-2,2,2-trifluoro-acetamide
CID 58944846
N-[3-[3-aminopropyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 89338536
N-[(1-chloro-3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 89338921
N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 89338940
Trimethyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]azanium
CID 130266406
N,3-dimethyl-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 175988379
N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide
CID 10059493
N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 10398187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride (CID 23051775) is N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride is CCN(CC1(C)CNC1)C(=O)C(F)(F)F.Cl.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
The InChIKey is MVBOOIHDYIGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c1-3-14(7(15)9(10,11)12)6-8(2)4-13-5-8;/h13H,3-6H2,1-2H3;1H.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride?
N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride has a molecular weight of 260.69 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 23051775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).