4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine

C17H17ClFNO — CID 165423684

IUPAC4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine
SMILESFc1ccc(Cl)cc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H17ClFNO/c18-15-5-6-17(19)16(11-15)14-3-1-13(2-4-14)12-20-7-9-21-10-8-20/h1-6,11H,7-10,12H2
InChIKeyYJRDRPWGDXZXQX-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.98
Rot. Bonds3

About 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine

4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine (PubChem CID 165423684) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine
PubChem CID165423684
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine
SMILESFc1ccc(Cl)cc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C17H17ClFNO/c18-15-5-6-17(19)16(11-15)14-3-1-13(2-4-14)12-20-7-9-21-10-8-20/h1-6,11H,7-10,12H2
InChIKeyYJRDRPWGDXZXQX-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine (CID 165423684) is 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine is Fc1ccc(Cl)cc1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine?
The InChIKey is YJRDRPWGDXZXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c18-15-5-6-17(19)16(11-15)14-3-1-13(2-4-14)12-20-7-9-21-10-8-20/h1-6,11H,7-10,12H2.
What are the key properties of 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine?
4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine has a molecular weight of 305.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-chloro-2-fluorophenyl)phenyl]methyl]morpholine is sourced from PubChem (CID 165423684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).