7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C11H16F3NO2 — CID 171964344

IUPAC7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(CCC(F)=C(F)F)CC2COCC(C1)N2
InChIInChI=1S/C11H16F3NO2/c12-9(10(13)14)1-2-11(16)3-7-5-17-6-8(4-11)15-7/h7-8,15-16H,1-6H2
InChIKeyNINNNWGIJCTXOK-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.73
Rot. Bonds3

About 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171964344) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171964344
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(CCC(F)=C(F)F)CC2COCC(C1)N2
InChIInChI=1S/C11H16F3NO2/c12-9(10(13)14)1-2-11(16)3-7-5-17-6-8(4-11)15-7/h7-8,15-16H,1-6H2
InChIKeyNINNNWGIJCTXOK-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol with MolForge

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Related Compounds

3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964325
7-(4,4,4-trifluorobutyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964319
7-(1,3-dioxolan-2-ylmethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171951927
tert-butyl 7-hydroxy-7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171964348
7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171961793
7-cyclopentyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171953013
7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957119
2-[(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methyl]benzonitrile
CID 171960760
7-(2,3,5,6-tetrafluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955369
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952391
3-[2-(1,3-dioxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171958451
tert-butyl 3-hydroxy-3-(3,4,4-trifluorobut-3-enyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171964338

Frequently Asked Questions

What is the IUPAC name of 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171964344) is 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(CCC(F)=C(F)F)CC2COCC(C1)N2.
What is the InChIKey of 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is NINNNWGIJCTXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-9(10(13)14)1-2-11(16)3-7-5-17-6-8(4-11)15-7/h7-8,15-16H,1-6H2.
What are the key properties of 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 251.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4,4-trifluorobut-3-enyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171964344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).