7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C16H20F3NO3 — CID 171956946

IUPAC7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCOc1cc(C(F)(F)F)cc(C2(O)CC3COCC(C2)N3C)c1
InChIInChI=1S/C16H20F3NO3/c1-20-12-6-15(21,7-13(20)9-23-8-12)10-3-11(16(17,18)19)5-14(4-10)22-2/h3-5,12-13,21H,6-9H2,1-2H3
InChIKeyMQNHHNLGLUJYMX-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.39
Rot. Bonds2

About 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171956946) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171956946
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC Name7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCOc1cc(C(F)(F)F)cc(C2(O)CC3COCC(C2)N3C)c1
InChIInChI=1S/C16H20F3NO3/c1-20-12-6-15(21,7-13(20)9-23-8-12)10-3-11(16(17,18)19)5-14(4-10)22-2/h3-5,12-13,21H,6-9H2,1-2H3
InChIKeyMQNHHNLGLUJYMX-UHFFFAOYSA-N
XLogP2.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol with MolForge

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Related Compounds

3-[3-methoxy-5-(trifluoromethyl)phenyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171956932
8-methyl-3-[3-methyl-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964029
3-[3-fluoro-5-(trifluoromethyl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963659
9-methyl-7-[2-(trifluoromethyl)pyrimidin-5-yl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171954604
7-(3,4-dimethoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955199
tert-butyl 7-(3,5-dimethoxyphenyl)-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955226
7-(2-ethoxypyrimidin-5-yl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961011
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961893
5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-methylpyridine-2-carbonitrile
CID 171961086
9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521
9H-fluoren-9-ylmethyl 7-[3,5-bis(trifluoromethyl)phenyl]-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171953859

Frequently Asked Questions

What is the IUPAC name of 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171956946) is 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is COc1cc(C(F)(F)F)cc(C2(O)CC3COCC(C2)N3C)c1.
What is the InChIKey of 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is MQNHHNLGLUJYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-20-12-6-15(21,7-13(20)9-23-8-12)10-3-11(16(17,18)19)5-14(4-10)22-2/h3-5,12-13,21H,6-9H2,1-2H3.
What are the key properties of 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 331.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171956946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).