N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide

C7H11F3N2O — CID 10104128

IUPACN-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)C1CNC1
InChIInChI=1S/C7H11F3N2O/c1-2-12(5-3-11-4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyRFTPNLIPWGLXBY-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.37
Rot. Bonds2

About N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide

N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 10104128) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID10104128
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)C1CNC1
InChIInChI=1S/C7H11F3N2O/c1-2-12(5-3-11-4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3
InChIKeyRFTPNLIPWGLXBY-UHFFFAOYSA-N
XLogP0.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.37
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)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide (CID 10104128) is N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is RFTPNLIPWGLXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-2-12(5-3-11-4-5)6(13)7(8,9)10/h5,11H,2-4H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 196.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10104128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).