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

C19H20F4N2O2 — CID 86273385

IUPAC2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1CC(F)(F)F
InChIInChI=1S/C19H20F4N2O2/c20-16-6-3-7-18(15(16)10-26)27-11-13-4-1-2-5-14(13)17-8-9-24-25(17)12-19(21,22)23/h3,6-10,13-14H,1-2,4-5,11-12H2
InChIKeyKUVAYFZEUICAJQ-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.75
Rot. Bonds6

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

2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde (PubChem CID 86273385) has the molecular formula C19H20F4N2O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
PubChem CID86273385
Molecular FormulaC19H20F4N2O2
Molecular Weight384.37 g/mol
Exact Mass384.15
IUPAC Name2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1CC(F)(F)F
InChIInChI=1S/C19H20F4N2O2/c20-16-6-3-7-18(15(16)10-26)27-11-13-4-1-2-5-14(13)17-8-9-24-25(17)12-19(21,22)23/h3,6-10,13-14H,1-2,4-5,11-12H2
InChIKeyKUVAYFZEUICAJQ-UHFFFAOYSA-N
XLogP4.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.75
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-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde (CID 86273385) is 2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde is O=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1CC(F)(F)F.
What is the InChIKey of 2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
The InChIKey is KUVAYFZEUICAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O2/c20-16-6-3-7-18(15(16)10-26)27-11-13-4-1-2-5-14(13)17-8-9-24-25(17)12-19(21,22)23/h3,6-10,13-14H,1-2,4-5,11-12H2.
What are the key properties of 2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde?
2-fluoro-6-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde has a molecular weight of 384.37 g/mol, XLogP of 4.75, 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-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]benzaldehyde is sourced from PubChem (CID 86273385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).