4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine

C12H14Cl2FNO — CID 112654434

IUPAC4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
SMILESFc1cccc(CN2CCOC(CCl)C2)c1Cl
InChIInChI=1S/C12H14Cl2FNO/c13-6-10-8-16(4-5-17-10)7-9-2-1-3-11(15)12(9)14/h1-3,10H,4-8H2
InChIKeyCHZCKARTYGNCDD-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.92
Rot. Bonds3

About 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine

4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine (PubChem CID 112654434) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
PubChem CID112654434
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
SMILESFc1cccc(CN2CCOC(CCl)C2)c1Cl
InChIInChI=1S/C12H14Cl2FNO/c13-6-10-8-16(4-5-17-10)7-9-2-1-3-11(15)12(9)14/h1-3,10H,4-8H2
InChIKeyCHZCKARTYGNCDD-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81214267
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
CID 112654364
2-(chloromethyl)-4-(pyridin-4-ylmethyl)morpholine
CID 81210247
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 74237243
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine (CID 112654434) is 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine is Fc1cccc(CN2CCOC(CCl)C2)c1Cl.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The InChIKey is CHZCKARTYGNCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c13-6-10-8-16(4-5-17-10)7-9-2-1-3-11(15)12(9)14/h1-3,10H,4-8H2.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine has a molecular weight of 278.15 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine is sourced from PubChem (CID 112654434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).