3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

C11H12F3NO3 — CID 123664575

IUPAC3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)C1C2CC2CN1C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)10(1-2-10)9(18)15-4-5-3-6(5)7(15)8(16)17/h5-7H,1-4H2,(H,16,17)
InChIKeyJBGPZMXDTKACNB-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.26
Rot. Bonds2

About 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 123664575) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID123664575
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)C1C2CC2CN1C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)10(1-2-10)9(18)15-4-5-3-6(5)7(15)8(16)17/h5-7H,1-4H2,(H,16,17)
InChIKeyJBGPZMXDTKACNB-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CID 123664575) is 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is O=C(O)C1C2CC2CN1C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is JBGPZMXDTKACNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)10(1-2-10)9(18)15-4-5-3-6(5)7(15)8(16)17/h5-7H,1-4H2,(H,16,17).
What are the key properties of 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(trifluoromethyl)cyclopropanecarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 123664575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).