2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde

C17H16FNO2 — CID 23005067

IUPAC2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C17H16FNO2/c18-17-11-14(1-2-15(17)12-20)13-3-5-16(6-4-13)19-7-9-21-10-8-19/h1-6,11-12H,7-10H2
InChIKeyXTORBPJCFVTBMQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.14
Rot. Bonds3

About 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde

2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde (PubChem CID 23005067) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
PubChem CID23005067
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C17H16FNO2/c18-17-11-14(1-2-15(17)12-20)13-3-5-16(6-4-13)19-7-9-21-10-8-19/h1-6,11-12H,7-10H2
InChIKeyXTORBPJCFVTBMQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.14
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 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde (CID 23005067) is 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde is O=Cc1ccc(-c2ccc(N3CCOCC3)cc2)cc1F.
What is the InChIKey of 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde?
The InChIKey is XTORBPJCFVTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-17-11-14(1-2-15(17)12-20)13-3-5-16(6-4-13)19-7-9-21-10-8-19/h1-6,11-12H,7-10H2.
What are the key properties of 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde?
2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde has a molecular weight of 285.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde is sourced from PubChem (CID 23005067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).