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

C10H14F3NO — CID 171952293

IUPAC3-(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)N2
InChIInChI=1S/C10H14F3NO/c1-6(10(11,12)13)9(15)4-7-2-3-8(5-9)14-7/h7-8,14-15H,1-5H2
InChIKeyMYIRWTDRVSTCSD-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.75
Rot. Bonds1

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

3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952293) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952293
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-(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)N2
InChIInChI=1S/C10H14F3NO/c1-6(10(11,12)13)9(15)4-7-2-3-8(5-9)14-7/h7-8,14-15H,1-5H2
InChIKeyMYIRWTDRVSTCSD-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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

3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CID 68756484
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50990616
(1R,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 52420906
(1R,5R)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113052
3-(3,3,3-Trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64566988
3-(Difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80606035
(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113051
3-(4,4,4-Trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115515305
8-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952294
3-(3,3,3-Trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952303
3-(3,4,4-Trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964325
3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171952293) is 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 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)N2.
What is the InChIKey of 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MYIRWTDRVSTCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-6(10(11,12)13)9(15)4-7-2-3-8(5-9)14-7/h7-8,14-15H,1-5H2.
What are the key properties of 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 221.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).