5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane

C10H15F2NO — CID 90020045

IUPAC5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(F)CC(CC(F)(C3)C1)N2O
InChIInChI=1S/C10H15F2NO/c1-8-4-9(11)2-7(13(8)14)3-10(12,5-8)6-9/h7,14H,2-6H2,1H3
InChIKeyHXHNFYPYIAGLHI-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.21
Rot. Bonds

About 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane

5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 90020045) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane
PubChem CID90020045
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(F)CC(CC(F)(C3)C1)N2O
InChIInChI=1S/C10H15F2NO/c1-8-4-9(11)2-7(13(8)14)3-10(12,5-8)6-9/h7,14H,2-6H2,1H3
InChIKeyHXHNFYPYIAGLHI-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane (CID 90020045) is 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane is CC12CC3(F)CC(CC(F)(C3)C1)N2O.
What is the InChIKey of 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is HXHNFYPYIAGLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-8-4-9(11)2-7(13(8)14)3-10(12,5-8)6-9/h7,14H,2-6H2,1H3.
What are the key properties of 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane?
5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 203.23 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-hydroxy-1-methyl-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 90020045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).