(2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

C14H15ClFNO — CID 7084563

IUPAC(2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@H]1/C(=C/c2c(F)cccc2Cl)N2CCC1CC2
InChIInChI=1S/C14H15ClFNO/c15-11-2-1-3-12(16)10(11)8-13-14(18)9-4-6-17(13)7-5-9/h1-3,8-9,14,18H,4-7H2/b13-8-/t14-/m0/s1
InChIKeyVFXZDJWKCIRXPG-MQJVFOOVSA-N
MW267.73 g/mol
LogP2.91
Rot. Bonds1

About (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol

(2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 7084563) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name(2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID7084563
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name(2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
SMILESO[C@@H]1/C(=C/c2c(F)cccc2Cl)N2CCC1CC2
InChIInChI=1S/C14H15ClFNO/c15-11-2-1-3-12(16)10(11)8-13-14(18)9-4-6-17(13)7-5-9/h1-3,8-9,14,18H,4-7H2/b13-8-/t14-/m0/s1
InChIKeyVFXZDJWKCIRXPG-MQJVFOOVSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

[(2Z,3R)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
CID 40562643
2-[(3-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 2996153
(2Z,3S)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394316
(2Z,3R)-2-[(3,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394314
(2Z,3R)-2-[(3-methylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
CID 7394213
3-(2-chloro-6-fluorophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]prop-2-en-1-one
CID 79403582
3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
CID 3685780
(2S)-1-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92924484
3-(2-chloro-6-fluorophenyl)-1-[4-[3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 3433981
(3E,5E)-3,5-bis[(2-chloro-6-fluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 46505680
2,6-bis[(2-chloro-6-fluorophenyl)methylidene]cyclohexan-1-one
CID 5143813
(E)-3-(2-chloro-6-fluorophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 1313172

Frequently Asked Questions

What is the IUPAC name of (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol (CID 7084563) is (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is O[C@@H]1/C(=C/c2c(F)cccc2Cl)N2CCC1CC2.
What is the InChIKey of (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is VFXZDJWKCIRXPG-MQJVFOOVSA-N. The full InChI is InChI=1S/C14H15ClFNO/c15-11-2-1-3-12(16)10(11)8-13-14(18)9-4-6-17(13)7-5-9/h1-3,8-9,14,18H,4-7H2/b13-8-/t14-/m0/s1.
What are the key properties of (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol?
(2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 267.73 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 7084563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).