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

C7H7F3N2O3 — CID 67278754

IUPAC1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#CC1(C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O.C2HF3O2/c6-3-5(1-2-5)4(7)8;3-2(4,5)1(6)7/h1-2H2,(H2,7,8);(H,6,7)
InChIKeyZAMQOUFPLLWUBJ-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.41
Rot. Bonds1

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

1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67278754) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67278754
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#CC1(C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O.C2HF3O2/c6-3-5(1-2-5)4(7)8;3-2(4,5)1(6)7/h1-2H2,(H2,7,8);(H,6,7)
InChIKeyZAMQOUFPLLWUBJ-UHFFFAOYSA-N
XLogP0.41
TPSA104.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 67278754) is 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is N#CC1(C(N)=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZAMQOUFPLLWUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2HF3O2/c6-3-5(1-2-5)4(7)8;3-2(4,5)1(6)7/h1-2H2,(H2,7,8);(H,6,7).
What are the key properties of 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 224.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67278754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).