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

C6H9F3N2O — CID 10442325

IUPACN-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CNC1
InChIInChI=1S/C6H9F3N2O/c1-11(4-2-10-3-4)5(12)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyXSRNTFFLMJPINV-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.02
Rot. Bonds1

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

N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 10442325) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID10442325
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC NameN-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CNC1
InChIInChI=1S/C6H9F3N2O/c1-11(4-2-10-3-4)5(12)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyXSRNTFFLMJPINV-UHFFFAOYSA-N
XLogP-0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.02
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?
The IUPAC name of N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide (CID 10442325) is N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is XSRNTFFLMJPINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c1-11(4-2-10-3-4)5(12)6(7,8)9/h4,10H,2-3H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(azetidin-3-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 182.14 g/mol, XLogP of -0.02, 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 is sourced from PubChem (CID 10442325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).