1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol

C10H18FNO — CID 130860086

IUPAC1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CC2CCC1CC2
InChIInChI=1S/C10H18FNO/c11-5-10(13)7-12-6-8-1-3-9(12)4-2-8/h8-10,13H,1-7H2
InChIKeyRQWSWJWFTFDMNM-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.19
Rot. Bonds3

About 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol

1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol (PubChem CID 130860086) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol
PubChem CID130860086
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol
SMILESOC(CF)CN1CC2CCC1CC2
InChIInChI=1S/C10H18FNO/c11-5-10(13)7-12-6-8-1-3-9(12)4-2-8/h8-10,13H,1-7H2
InChIKeyRQWSWJWFTFDMNM-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol (CID 130860086) is 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol is OC(CF)CN1CC2CCC1CC2.
What is the InChIKey of 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol?
The InChIKey is RQWSWJWFTFDMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c11-5-10(13)7-12-6-8-1-3-9(12)4-2-8/h8-10,13H,1-7H2.
What are the key properties of 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol?
1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.2]octan-2-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 130860086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).