2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

C14H16FNO — CID 2996153

IUPAC2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C(=Cc2cccc(F)c2)N2CCC1CC2
InChIInChI=1S/C14H16FNO/c15-12-3-1-2-10(8-12)9-13-14(17)11-4-6-16(13)7-5-11/h1-3,8-9,11,14,17H,4-7H2
InChIKeyQJGWSGNYGCJUDX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.25
Rot. Bonds1

About 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 2996153) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID2996153
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C(=Cc2cccc(F)c2)N2CCC1CC2
InChIInChI=1S/C14H16FNO/c15-12-3-1-2-10(8-12)9-13-14(17)11-4-6-16(13)7-5-11/h1-3,8-9,11,14,17H,4-7H2
InChIKeyQJGWSGNYGCJUDX-UHFFFAOYSA-N
XLogP2.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394213
(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394316
(2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7084563
2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 3578005
2-[(4-methoxy-3-nitrophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 2976646
(1E)-3-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[(Z)-2-(3-fluorophenyl)ethenyl]-1-N-methylbuta-1,3-diene-1,3-diamine
CID 129083414
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-[3-(3-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 74868259
(E)-3-(3-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 107224874
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
(E)-3-(3-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415685
2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 170351043

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (CID 2996153) is 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is OC1C(=Cc2cccc(F)c2)N2CCC1CC2.
What is the InChIKey of 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is QJGWSGNYGCJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-12-3-1-2-10(8-12)9-13-14(17)11-4-6-16(13)7-5-11/h1-3,8-9,11,14,17H,4-7H2.
What are the key properties of 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 233.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 2996153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).