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

C9H12F3NO — CID 131020812

IUPAC2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1(C(F)(F)F)C2CC3CNC1C3C2
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)5-1-4-3-13-7(8)6(4)2-5/h4-7,13-14H,1-3H2
InChIKeyPRYJKUOLTDSEBA-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.91
Rot. Bonds

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

2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 131020812) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID131020812
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1(C(F)(F)F)C2CC3CNC1C3C2
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)5-1-4-3-13-7(8)6(4)2-5/h4-7,13-14H,1-3H2
InChIKeyPRYJKUOLTDSEBA-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 131020812) is 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1(C(F)(F)F)C2CC3CNC1C3C2.
What is the InChIKey of 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is PRYJKUOLTDSEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)8(14)5-1-4-3-13-7(8)6(4)2-5/h4-7,13-14H,1-3H2.
What are the key properties of 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 207.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 131020812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).