imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C6H9F3N2O4 — CID 68720179

IUPACimidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1NCCN1
InChIInChI=1S/C4H8N2O2.C2HF3O2/c7-4(8)3-5-1-2-6-3;3-2(4,5)1(6)7/h3,5-6H,1-2H2,(H,7,8);(H,6,7)
InChIKeyORDRFTLTIXPYKI-UHFFFAOYSA-N
MW230.14 g/mol
LogP-0.78
Rot. Bonds1

About imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 68720179) has the molecular formula C6H9F3N2O4 and a molecular weight of 230.14 g/mol. Its IUPAC name is imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameimidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID68720179
Molecular FormulaC6H9F3N2O4
Molecular Weight230.14 g/mol
Exact Mass230.05
IUPAC Nameimidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1NCCN1
InChIInChI=1S/C4H8N2O2.C2HF3O2/c7-4(8)3-5-1-2-6-3;3-2(4,5)1(6)7/h3,5-6H,1-2H2,(H,7,8);(H,6,7)
InChIKeyORDRFTLTIXPYKI-UHFFFAOYSA-N
XLogP-0.78
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 68720179) is imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)C1NCCN1.
What is the InChIKey of imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is ORDRFTLTIXPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.C2HF3O2/c7-4(8)3-5-1-2-6-3;3-2(4,5)1(6)7/h3,5-6H,1-2H2,(H,7,8);(H,6,7).
What are the key properties of imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 230.14 g/mol, XLogP of -0.78, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68720179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).