N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid

C7H11F3N2O3 — CID 67008008

IUPACN-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c1-4(8)7-5-2-6-3-5;3-2(4,5)1(6)7/h5-6H,2-3H2,1H3,(H,7,8);(H,6,7)
InChIKeyFLEDNFDPPDJSGP-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.27
Rot. Bonds1

About N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid

N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 67008008) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID67008008
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC NameN-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c1-4(8)7-5-2-6-3-5;3-2(4,5)1(6)7/h5-6H,2-3H2,1H3,(H,7,8);(H,6,7)
InChIKeyFLEDNFDPPDJSGP-UHFFFAOYSA-N
XLogP-0.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid (CID 67008008) is N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid is CC(=O)NC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is FLEDNFDPPDJSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2HF3O2/c1-4(8)7-5-2-6-3-5;3-2(4,5)1(6)7/h5-6H,2-3H2,1H3,(H,7,8);(H,6,7).
What are the key properties of N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 228.17 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67008008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).