2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde

C20H25FN2O2 — CID 86273389

IUPAC2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C20H25FN2O2/c1-14(2)23-19(10-11-22-23)16-7-4-3-6-15(16)13-25-20-9-5-8-18(21)17(20)12-24/h5,8-12,14-16H,3-4,6-7,13H2,1-2H3
InChIKeySZSUZTDQHXVKPH-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.77
Rot. Bonds6

About 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde

2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde (PubChem CID 86273389) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
PubChem CID86273389
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
SMILESCC(C)n1nccc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C20H25FN2O2/c1-14(2)23-19(10-11-22-23)16-7-4-3-6-15(16)13-25-20-9-5-8-18(21)17(20)12-24/h5,8-12,14-16H,3-4,6-7,13H2,1-2H3
InChIKeySZSUZTDQHXVKPH-UHFFFAOYSA-N
XLogP4.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde (CID 86273389) is 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde is CC(C)n1nccc1C1CCCCC1COc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
The InChIKey is SZSUZTDQHXVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)23-19(10-11-22-23)16-7-4-3-6-15(16)13-25-20-9-5-8-18(21)17(20)12-24/h5,8-12,14-16H,3-4,6-7,13H2,1-2H3.
What are the key properties of 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde has a molecular weight of 344.43 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde is sourced from PubChem (CID 86273389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).