(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol

C7H10F3NO — CID 178202277

IUPAC(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@@]1(C(F)(F)F)C[C@H]2NCC[C@H]21
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)3-5-4(6)1-2-11-5/h4-5,11-12H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyCWBIIJWOEATWLC-PBXRRBTRSA-N
MW181.16 g/mol
LogP0.66
Rot. Bonds

About (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol

(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol (PubChem CID 178202277) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol.

Molecular Properties

Compound Name(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol
PubChem CID178202277
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol
SMILESO[C@@]1(C(F)(F)F)C[C@H]2NCC[C@H]21
InChIInChI=1S/C7H10F3NO/c8-7(9,10)6(12)3-5-4(6)1-2-11-5/h4-5,11-12H,1-3H2/t4-,5-,6+/m1/s1
InChIKeyCWBIIJWOEATWLC-PBXRRBTRSA-N
XLogP0.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol?
The IUPAC name of (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol (CID 178202277) is (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol.
What is the SMILES notation for (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol?
The canonical SMILES for (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol is O[C@@]1(C(F)(F)F)C[C@H]2NCC[C@H]21.
What is the InChIKey of (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol?
The InChIKey is CWBIIJWOEATWLC-PBXRRBTRSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)6(12)3-5-4(6)1-2-11-5/h4-5,11-12H,1-3H2/t4-,5-,6+/m1/s1.
What are the key properties of (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol?
(1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol has a molecular weight of 181.16 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-6-(trifluoromethyl)-2-azabicyclo[3.2.0]heptan-6-ol is sourced from PubChem (CID 178202277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).