7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid

C7H8F3NO3 — CID 75263497

IUPAC7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid
SMILESO=C(O)C1COC2C(N1)C2C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-4-5(3)14-1-2(11-4)6(12)13/h2-5,11H,1H2,(H,12,13)
InChIKeyVBJRFGQQIJIQLF-UHFFFAOYSA-N
MW211.14 g/mol
LogP-0.01
Rot. Bonds1

About 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid

7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid (PubChem CID 75263497) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid
PubChem CID75263497
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid
SMILESO=C(O)C1COC2C(N1)C2C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)3-4-5(3)14-1-2(11-4)6(12)13/h2-5,11H,1H2,(H,12,13)
InChIKeyVBJRFGQQIJIQLF-UHFFFAOYSA-N
XLogP-0.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid (CID 75263497) is 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid is O=C(O)C1COC2C(N1)C2C(F)(F)F.
What is the InChIKey of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid?
The InChIKey is VBJRFGQQIJIQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)3-4-5(3)14-1-2(11-4)6(12)13/h2-5,11H,1H2,(H,12,13).
What are the key properties of 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid?
7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid has a molecular weight of 211.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid is sourced from PubChem (CID 75263497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).