8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C12H18F3NO — CID 171964326

IUPAC8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCC(F)=C(F)F)C2
InChIInChI=1S/C12H18F3NO/c1-16-8-2-3-9(16)7-12(17,6-8)5-4-10(13)11(14)15/h8-9,17H,2-7H2,1H3
InChIKeyWPMQGTMVFFOVQK-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.83
Rot. Bonds3

About 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964326) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964326
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCC(F)=C(F)F)C2
InChIInChI=1S/C12H18F3NO/c1-16-8-2-3-9(16)7-12(17,6-8)5-4-10(13)11(14)15/h8-9,17H,2-7H2,1H3
InChIKeyWPMQGTMVFFOVQK-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 382572
3-(1,1-Difluoroethyl)-8-methanidyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 58123630
8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 61644733
8-[(2-Methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 146374927
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-[Bromo(difluoro)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 107140522
8-(2-Fluoroethyl)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130626379
3-(5-Fluoropentyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952244
8-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952294
3-(4-Fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952923
8-Methyl-3-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964301

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171964326) is 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(CCC(F)=C(F)F)C2.
What is the InChIKey of 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WPMQGTMVFFOVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-16-8-2-3-9(16)7-12(17,6-8)5-4-10(13)11(14)15/h8-9,17H,2-7H2,1H3.
What are the key properties of 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 249.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).