4-[2-(chloromethyl)-4-fluorophenyl]morpholine

C11H13ClFNO — CID 43313492

IUPAC4-[2-(chloromethyl)-4-fluorophenyl]morpholine
SMILESFc1ccc(N2CCOCC2)c(CCl)c1
InChIInChI=1S/C11H13ClFNO/c12-8-9-7-10(13)1-2-11(9)14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyDAWLUVFPWNRAAI-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.40
Rot. Bonds2

About 4-[2-(chloromethyl)-4-fluorophenyl]morpholine

4-[2-(chloromethyl)-4-fluorophenyl]morpholine (PubChem CID 43313492) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 4-[2-(chloromethyl)-4-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[2-(chloromethyl)-4-fluorophenyl]morpholine
PubChem CID43313492
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name4-[2-(chloromethyl)-4-fluorophenyl]morpholine
SMILESFc1ccc(N2CCOCC2)c(CCl)c1
InChIInChI=1S/C11H13ClFNO/c12-8-9-7-10(13)1-2-11(9)14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyDAWLUVFPWNRAAI-UHFFFAOYSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)-4-fluorophenyl]morpholine?
The IUPAC name of 4-[2-(chloromethyl)-4-fluorophenyl]morpholine (CID 43313492) is 4-[2-(chloromethyl)-4-fluorophenyl]morpholine.
What is the SMILES notation for 4-[2-(chloromethyl)-4-fluorophenyl]morpholine?
The canonical SMILES for 4-[2-(chloromethyl)-4-fluorophenyl]morpholine is Fc1ccc(N2CCOCC2)c(CCl)c1.
What is the InChIKey of 4-[2-(chloromethyl)-4-fluorophenyl]morpholine?
The InChIKey is DAWLUVFPWNRAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-8-9-7-10(13)1-2-11(9)14-3-5-15-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[2-(chloromethyl)-4-fluorophenyl]morpholine?
4-[2-(chloromethyl)-4-fluorophenyl]morpholine has a molecular weight of 229.68 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)-4-fluorophenyl]morpholine is sourced from PubChem (CID 43313492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).