(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

C15H22F3NO2 — CID 78995089

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)10-3-1-2-9(6-10)14(21)19-11-4-5-12(19)8-13(20)7-11/h9-13,20H,1-8H2
InChIKeyPCRBQMJMONNZCH-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.87
Rot. Bonds1

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 78995089) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID78995089
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H22F3NO2/c16-15(17,18)10-3-1-2-9(6-10)14(21)19-11-4-5-12(19)8-13(20)7-11/h9-13,20H,1-8H2
InChIKeyPCRBQMJMONNZCH-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 78995089) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCC(C(F)(F)F)C1)N1C2CCC1CC(O)C2.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is PCRBQMJMONNZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c16-15(17,18)10-3-1-2-9(6-10)14(21)19-11-4-5-12(19)8-13(20)7-11/h9-13,20H,1-8H2.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 305.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 78995089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).