2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde

C20H23FN2O3 — CID 86273142

IUPAC2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1C1COC1
InChIInChI=1S/C20H23FN2O3/c21-18-6-3-7-20(17(18)10-24)26-11-14-4-1-2-5-16(14)19-8-9-22-23(19)15-12-25-13-15/h3,6-10,14-16H,1-2,4-5,11-13H2
InChIKeyPAJUNZGDFCEVJS-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.76
Rot. Bonds6

About 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde

2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde (PubChem CID 86273142) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
PubChem CID86273142
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1C1COC1
InChIInChI=1S/C20H23FN2O3/c21-18-6-3-7-20(17(18)10-24)26-11-14-4-1-2-5-16(14)19-8-9-22-23(19)15-12-25-13-15/h3,6-10,14-16H,1-2,4-5,11-13H2
InChIKeyPAJUNZGDFCEVJS-UHFFFAOYSA-N
XLogP3.76
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde (CID 86273142) is 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde is O=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1C1COC1.
What is the InChIKey of 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
The InChIKey is PAJUNZGDFCEVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-18-6-3-7-20(17(18)10-24)26-11-14-4-1-2-5-16(14)19-8-9-22-23(19)15-12-25-13-15/h3,6-10,14-16H,1-2,4-5,11-13H2.
What are the key properties of 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde has a molecular weight of 358.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde is sourced from PubChem (CID 86273142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).