8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H16F3NO — CID 171952294

IUPAC8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(C(F)(F)F)C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C11H16F3NO/c1-7(11(12,13)14)10(16)5-8-3-4-9(6-10)15(8)2/h8-9,16H,1,3-6H2,2H3
InChIKeyYDORZZPBSYCDAQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.09
Rot. Bonds1

About 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952294) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952294
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(C(F)(F)F)C1(O)CC2CCC(C1)N2C
InChIInChI=1S/C11H16F3NO/c1-7(11(12,13)14)10(16)5-8-3-4-9(6-10)15(8)2/h8-9,16H,1,3-6H2,2H3
InChIKeyYDORZZPBSYCDAQ-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 61644733
3-(1,1-Difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
CID 58123631
3-(Difluoromethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 80604649
3-(3,3,3-Trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952293
Tert-butyl 3-hydroxy-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952295
9-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952304
8-Methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964301
8-Methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964326
3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119
3-Hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952098
8-Methyl-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952269
8-Methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952463

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171952294) is 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is C=C(C(F)(F)F)C1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YDORZZPBSYCDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-7(11(12,13)14)10(16)5-8-3-4-9(6-10)15(8)2/h8-9,16H,1,3-6H2,2H3.
What are the key properties of 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 235.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).