N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride

C6H10ClF3N2O — CID 23051792

IUPACN-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NCC1CNC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-3-4-1-10-2-4;/h4,10H,1-3H2,(H,11,12);1H
InChIKeyVNLUDOWOYBHVIO-UHFFFAOYSA-N
MW218.61 g/mol
LogP0.31
Rot. Bonds2

About N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride

N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 23051792) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID23051792
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC NameN-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.O=C(NCC1CNC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-3-4-1-10-2-4;/h4,10H,1-3H2,(H,11,12);1H
InChIKeyVNLUDOWOYBHVIO-UHFFFAOYSA-N
XLogP0.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2,2,2-trifluoroacetamide hydrochloride
CID 71752754
[(3-Methyl-3-azetidinyl)methyl]trifluoroacetamide
CID 14852457
3-Methyl-3-trifluoroacetamidomethylazetidine hydrochloride
CID 14852458
2,2,2-trifluoro-N-[(2-methylazetidin-3-yl)methyl]acetamide
CID 14852464
N-[(Azetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 21611768
N-ethyl-2,2,2-trifluoro-N-[(3-methylazetidin-3-yl)methyl]acetamide;hydrochloride
CID 23051775
N-(3-aminopropyl)-2,2,2-trifluoroacetamide
CID 63105561
N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 65962357
N-(3,3,3-trifluoropropyl)azetidine-3-carboxamide
CID 65966487
N-[3-(azetidin-3-yl)propyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 87890415
N-[(1-chloro-3-methylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 89338940
Azetidin-3-yl(3,3-difluoroazetidin-1-yl)methanone
CID 121200809

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride (CID 23051792) is N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride is Cl.O=C(NCC1CNC1)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is VNLUDOWOYBHVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.ClH/c7-6(8,9)5(12)11-3-4-1-10-2-4;/h4,10H,1-3H2,(H,11,12);1H.
What are the key properties of N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride?
N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 218.61 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 23051792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).