2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde

C20H25FN2O2 — CID 90434189

IUPAC2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde
SMILESCC(C)n1cncc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C20H25FN2O2/c1-14(2)23-13-22-10-19(23)16-7-4-3-6-15(16)12-25-20-9-5-8-18(21)17(20)11-24/h5,8-11,13-16H,3-4,6-7,12H2,1-2H3
InChIKeyZFCYPUAPMBDSAA-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.77
Rot. Bonds6

About 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde

2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde (PubChem CID 90434189) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde
PubChem CID90434189
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde
SMILESCC(C)n1cncc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C20H25FN2O2/c1-14(2)23-13-22-10-19(23)16-7-4-3-6-15(16)12-25-20-9-5-8-18(21)17(20)11-24/h5,8-11,13-16H,3-4,6-7,12H2,1-2H3
InChIKeyZFCYPUAPMBDSAA-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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Related Compounds

2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
2-methyl-5-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]pyridine
CID 90426628
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867836
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
2-fluoro-6-(2-methylpropoxy)benzaldehyde
CID 86622730
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 118867860
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
5-[2-(chloromethyl)cyclopropyl]-1-propan-2-ylimidazole
CID 81358333
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867768
2-hydroxy-6-[[4-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methoxy]benzaldehyde
CID 86295210
2-fluoro-6-[[7-(2-propan-2-ylpyrazol-3-yl)-3-azabicyclo[4.1.0]heptan-6-yl]methoxy]benzaldehyde
CID 123427593

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde (CID 90434189) is 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde is CC(C)n1cncc1C1CCCCC1COc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde?
The InChIKey is ZFCYPUAPMBDSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)23-13-22-10-19(23)16-7-4-3-6-15(16)12-25-20-9-5-8-18(21)17(20)11-24/h5,8-11,13-16H,3-4,6-7,12H2,1-2H3.
What are the key properties of 2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde?
2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-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-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde is sourced from PubChem (CID 90434189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).