2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine

C12H15ClFNO2 — CID 67073261

IUPAC2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
SMILESCOc1cc(F)c(CC2CNCCO2)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-16-12-6-11(14)8(5-10(12)13)4-9-7-15-2-3-17-9/h5-6,9,15H,2-4,7H2,1H3
InChIKeyZYUONOKVHYKSFS-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.02
Rot. Bonds3

About 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine

2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine (PubChem CID 67073261) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
PubChem CID67073261
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine
SMILESCOc1cc(F)c(CC2CNCCO2)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-16-12-6-11(14)8(5-10(12)13)4-9-7-15-2-3-17-9/h5-6,9,15H,2-4,7H2,1H3
InChIKeyZYUONOKVHYKSFS-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloro-2-fluoro-4-methoxyphenyl)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 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
The IUPAC name of 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine (CID 67073261) is 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine is COc1cc(F)c(CC2CNCCO2)cc1Cl.
What is the InChIKey of 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
The InChIKey is ZYUONOKVHYKSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-16-12-6-11(14)8(5-10(12)13)4-9-7-15-2-3-17-9/h5-6,9,15H,2-4,7H2,1H3.
What are the key properties of 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine?
2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine has a molecular weight of 259.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 67073261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).