3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

C8H13F2NO — CID 80606035

IUPAC3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)F)CC2CCC(C1)N2
InChIInChI=1S/C8H13F2NO/c9-7(10)8(12)3-5-1-2-6(4-8)11-5/h5-7,11-12H,1-4H2
InChIKeyGMICUBLIRVFMKE-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.90
Rot. Bonds1

About 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80606035) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80606035
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C(F)F)CC2CCC(C1)N2
InChIInChI=1S/C8H13F2NO/c9-7(10)8(12)3-5-1-2-6(4-8)11-5/h5-7,11-12H,1-4H2
InChIKeyGMICUBLIRVFMKE-UHFFFAOYSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 80606035) is 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(C(F)F)CC2CCC(C1)N2.
What is the InChIKey of 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GMICUBLIRVFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-7(10)8(12)3-5-1-2-6(4-8)11-5/h5-7,11-12H,1-4H2.
What are the key properties of 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 177.19 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80606035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).