cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C6H8F3NO3 — CID 18329075

IUPACcyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H7NO.C2HF3O2/c5-4(6)3-1-2-3;3-2(4,5)1(6)7/h3H,1-2H2,(H2,5,6);(H,6,7)
InChIKeyBPTHRVJTSWBZBT-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.51
Rot. Bonds1

About cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 18329075) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID18329075
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Namecyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H7NO.C2HF3O2/c5-4(6)3-1-2-3;3-2(4,5)1(6)7/h3H,1-2H2,(H2,5,6);(H,6,7)
InChIKeyBPTHRVJTSWBZBT-UHFFFAOYSA-N
XLogP0.51
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 18329075) is cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BPTHRVJTSWBZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C2HF3O2/c5-4(6)3-1-2-3;3-2(4,5)1(6)7/h3H,1-2H2,(H2,5,6);(H,6,7).
What are the key properties of cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 199.13 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18329075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).