azetidine-1-carboxamide;2,2,2-trifluoroacetic acid

C6H9F3N2O3 — CID 139535162

IUPACazetidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8N2O.C2HF3O2/c5-4(7)6-2-1-3-6;3-2(4,5)1(6)7/h1-3H2,(H2,5,7);(H,6,7)
InChIKeyPPVWKLLLMBEYBH-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.40
Rot. Bonds

About azetidine-1-carboxamide;2,2,2-trifluoroacetic acid

azetidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 139535162) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is azetidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameazetidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID139535162
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Nameazetidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8N2O.C2HF3O2/c5-4(7)6-2-1-3-6;3-2(4,5)1(6)7/h1-3H2,(H2,5,7);(H,6,7)
InChIKeyPPVWKLLLMBEYBH-UHFFFAOYSA-N
XLogP0.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of azetidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 139535162) is azetidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for azetidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for azetidine-1-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)N1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of azetidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PPVWKLLLMBEYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.C2HF3O2/c5-4(7)6-2-1-3-6;3-2(4,5)1(6)7/h1-3H2,(H2,5,7);(H,6,7).
What are the key properties of azetidine-1-carboxamide;2,2,2-trifluoroacetic acid?
azetidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 214.14 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139535162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).