5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde

C20H20FNO2 — CID 90423245

IUPAC5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(C2CC2)c(-c2ccc(F)cc2)cc1N1CCOCC1
InChIInChI=1S/C20H20FNO2/c21-17-5-3-15(4-6-17)19-12-20(22-7-9-24-10-8-22)16(13-23)11-18(19)14-1-2-14/h3-6,11-14H,1-2,7-10H2
InChIKeyNYPNXBPHNCBOIG-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.02
Rot. Bonds4

About 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde

5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde (PubChem CID 90423245) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde
PubChem CID90423245
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde
SMILESO=Cc1cc(C2CC2)c(-c2ccc(F)cc2)cc1N1CCOCC1
InChIInChI=1S/C20H20FNO2/c21-17-5-3-15(4-6-17)19-12-20(22-7-9-24-10-8-22)16(13-23)11-18(19)14-1-2-14/h3-6,11-14H,1-2,7-10H2
InChIKeyNYPNXBPHNCBOIG-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde?
The IUPAC name of 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde (CID 90423245) is 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde is O=Cc1cc(C2CC2)c(-c2ccc(F)cc2)cc1N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde?
The InChIKey is NYPNXBPHNCBOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c21-17-5-3-15(4-6-17)19-12-20(22-7-9-24-10-8-22)16(13-23)11-18(19)14-1-2-14/h3-6,11-14H,1-2,7-10H2.
What are the key properties of 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde?
5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde has a molecular weight of 325.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(4-fluorophenyl)-2-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 90423245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).