2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C9H13F2NO — CID 131181913

IUPAC2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1(C(F)F)C2CC3CNC1C3C2
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)5-1-4-3-12-7(9)6(4)2-5/h4-8,12-13H,1-3H2
InChIKeyHCYMLEAAKMSKKS-UHFFFAOYSA-N
MW189.20 g/mol
LogP0.61
Rot. Bonds1

About 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 131181913) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID131181913
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1(C(F)F)C2CC3CNC1C3C2
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)5-1-4-3-12-7(9)6(4)2-5/h4-8,12-13H,1-3H2
InChIKeyHCYMLEAAKMSKKS-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-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 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 131181913) is 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1(C(F)F)C2CC3CNC1C3C2.
What is the InChIKey of 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is HCYMLEAAKMSKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-8(11)9(13)5-1-4-3-12-7(9)6(4)2-5/h4-8,12-13H,1-3H2.
What are the key properties of 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 189.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 131181913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).