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

C8H13F3N2O — CID 10398187

IUPACN-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(CC1CNC1)C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13(5-6-3-12-4-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUQSMJQHYWLCMBP-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.62
Rot. Bonds3

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

N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 10398187) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID10398187
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(CC1CNC1)C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13(5-6-3-12-4-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUQSMJQHYWLCMBP-UHFFFAOYSA-N
XLogP0.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide (CID 10398187) is N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(CC1CNC1)C(=O)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is UQSMJQHYWLCMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-13(5-6-3-12-4-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide has a molecular weight of 210.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 10398187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).