6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C7H8F3NO2 — CID 82400684

IUPAC6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)C2CNCC21
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(5(12)13)3-1-11-2-4(3)6/h3-4,11H,1-2H2,(H,12,13)
InChIKeyBZSJBNGVGZNMTO-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.47
Rot. Bonds1

About 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 82400684) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID82400684
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)C2CNCC21
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(5(12)13)3-1-11-2-4(3)6/h3-4,11H,1-2H2,(H,12,13)
InChIKeyBZSJBNGVGZNMTO-UHFFFAOYSA-N
XLogP0.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-difluoro-3-azabicyclo[3.1.0]hexane;oxalic acid
CID 156592385
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789
(2S,3S,4R)-3,4-dihydroxy-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 102038622
(1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 124643598
3-(3-chloro-1-bicyclo[1.1.1]pentanyl)azetidine;2,2,2-trifluoroacetic acid
CID 165454916
3,6-diazabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 175917461
(2S,3R,4R)-2,3,4-trihydroxypyrrolidine-2-carboxylic acid
CID 58111748
3-(difluoromethyl)azetidine;2,2,2-trifluoroacetic acid
CID 155943912
6-oxa-3-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 155294366
(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 83679887
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 82400684) is 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is O=C(O)C1(C(F)(F)F)C2CNCC21.
What is the InChIKey of 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is BZSJBNGVGZNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)6(5(12)13)3-1-11-2-4(3)6/h3-4,11H,1-2H2,(H,12,13).
What are the key properties of 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 195.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 82400684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).