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

C10H15F2NO — CID 130495026

IUPAC4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CC(F)F)C1C3C2
InChIInChI=1S/C10H15F2NO/c11-8(12)4-13-3-6-1-5-2-7(6)9(13)10(5)14/h5-10,14H,1-4H2
InChIKeyCFTHXDIFEQCCHY-UHFFFAOYSA-N
MW203.23 g/mol
LogP0.95
Rot. Bonds2

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

4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 130495026) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID130495026
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(CC(F)F)C1C3C2
InChIInChI=1S/C10H15F2NO/c11-8(12)4-13-3-6-1-5-2-7(6)9(13)10(5)14/h5-10,14H,1-4H2
InChIKeyCFTHXDIFEQCCHY-UHFFFAOYSA-N
XLogP0.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 130495026) is 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3CN(CC(F)F)C1C3C2.
What is the InChIKey of 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is CFTHXDIFEQCCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-8(12)4-13-3-6-1-5-2-7(6)9(13)10(5)14/h5-10,14H,1-4H2.
What are the key properties of 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 203.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 130495026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).