N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

C8H13F3N2O — CID 58944846

IUPACN-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O/c1-2-7(3-12-4-7)5-13-6(14)8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyQTFCZBARLFRWIO-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.66
Rot. Bonds3

About N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 58944846) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID58944846
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCC1(CNC(=O)C(F)(F)F)CNC1
InChIInChI=1S/C8H13F3N2O/c1-2-7(3-12-4-7)5-13-6(14)8(9,10)11/h12H,2-5H2,1H3,(H,13,14)
InChIKeyQTFCZBARLFRWIO-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 58944846) is N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is CCC1(CNC(=O)C(F)(F)F)CNC1.
What is the InChIKey of N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is QTFCZBARLFRWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-7(3-12-4-7)5-13-6(14)8(9,10)11/h12H,2-5H2,1H3,(H,13,14).
What are the key properties of N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 210.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylazetidin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58944846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).