6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid

C9H10F3NO3 — CID 166000293

IUPAC6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(NC1(C(=O)O)C2CCCC21)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)6(14)13-8(7(15)16)4-2-1-3-5(4)8/h4-5H,1-3H2,(H,13,14)(H,15,16)
InChIKeyWYQXUXIBOGGXTJ-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.92
Rot. Bonds2

About 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid

6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 166000293) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID166000293
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(NC1(C(=O)O)C2CCCC21)C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)6(14)13-8(7(15)16)4-2-1-3-5(4)8/h4-5H,1-3H2,(H,13,14)(H,15,16)
InChIKeyWYQXUXIBOGGXTJ-UHFFFAOYSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid (CID 166000293) is 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid is O=C(NC1(C(=O)O)C2CCCC21)C(F)(F)F.
What is the InChIKey of 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is WYQXUXIBOGGXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)6(14)13-8(7(15)16)4-2-1-3-5(4)8/h4-5H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid?
6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 237.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,2-trifluoroacetyl)amino]bicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 166000293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).