3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid

C7H10F3NO3 — CID 170907679

IUPAC3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1C2CNCC12
InChIInChI=1S/C5H9NO.C2HF3O2/c7-5-3-1-6-2-4(3)5;3-2(4,5)1(6)7/h3-7H,1-2H2;(H,6,7)
InChIKeyVDUYNYGWBGMXCP-UHFFFAOYSA-N
MW213.15 g/mol
LogP-0.17
Rot. Bonds

About 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid

3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid (PubChem CID 170907679) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid
PubChem CID170907679
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC1C2CNCC12
InChIInChI=1S/C5H9NO.C2HF3O2/c7-5-3-1-6-2-4(3)5;3-2(4,5)1(6)7/h3-7H,1-2H2;(H,6,7)
InChIKeyVDUYNYGWBGMXCP-UHFFFAOYSA-N
XLogP-0.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid (CID 170907679) is 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC1C2CNCC12.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid?
The InChIKey is VDUYNYGWBGMXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2HF3O2/c7-5-3-1-6-2-4(3)5;3-2(4,5)1(6)7/h3-7H,1-2H2;(H,6,7).
What are the key properties of 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid?
3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid has a molecular weight of 213.15 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-6-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170907679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).