9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C11H16F3NO2 — CID 171952313

IUPAC9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESC=C(C(F)(F)F)C1(O)CC2COCC(C1)N2C
InChIInChI=1S/C11H16F3NO2/c1-7(11(12,13)14)10(16)3-8-5-17-6-9(4-10)15(8)2/h8-9,16H,1,3-6H2,2H3
InChIKeyNSYLEHNOBAAWMD-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.33
Rot. Bonds1

About 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171952313) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171952313
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESC=C(C(F)(F)F)C1(O)CC2COCC(C1)N2C
InChIInChI=1S/C11H16F3NO2/c1-7(11(12,13)14)10(16)3-8-5-17-6-9(4-10)15(8)2/h8-9,16H,1,3-6H2,2H3
InChIKeyNSYLEHNOBAAWMD-UHFFFAOYSA-N
XLogP1.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-benzyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952314
9-methyl-7-(1-phenylethenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171958786
9-methyl-7-(2,3,4,5,6-pentafluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963925
9-methyl-7-[2-(trifluoromethyl)pyrimidin-5-yl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171954604
7-but-3-enyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952648
3-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propanenitrile
CID 171952411
7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956946
9-methyl-3-(1-trimethylsilylethenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952279
7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960411
7-[(4-fluorophenyl)methyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959295
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 2,2-difluoropropanoate
CID 71232343
9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171962017

Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171952313) is 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is C=C(C(F)(F)F)C1(O)CC2COCC(C1)N2C.
What is the InChIKey of 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is NSYLEHNOBAAWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-7(11(12,13)14)10(16)3-8-5-17-6-9(4-10)15(8)2/h8-9,16H,1,3-6H2,2H3.
What are the key properties of 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 251.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-(3,3,3-trifluoroprop-1-en-2-yl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171952313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).