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

C12H14Cl2FNO — CID 81214267

IUPAC4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
SMILESFc1ccc(CN2CCOC(CCl)C2)c(Cl)c1
InChIInChI=1S/C12H14Cl2FNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(15)5-12(9)14/h1-2,5,11H,3-4,6-8H2
InChIKeyYNRKSDUHOZMLOY-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.92
Rot. Bonds3

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

4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine (PubChem CID 81214267) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
PubChem CID81214267
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine
SMILESFc1ccc(CN2CCOC(CCl)C2)c(Cl)c1
InChIInChI=1S/C12H14Cl2FNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(15)5-12(9)14/h1-2,5,11H,3-4,6-8H2
InChIKeyYNRKSDUHOZMLOY-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-4-fluorophenyl)methyl]morpholine
CID 81213276
4-[(2-chloro-4-fluorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74241217
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 112654434
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
4-[[2-[(2-chloro-4-fluorophenyl)methyl]morpholin-4-yl]methyl]-5-cyclopropyl-2-fluorobenzoic acid;hydrochloride
CID 118111239
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
[4-[(2-chloro-5-fluoro-4-methylphenyl)methyl]morpholin-2-yl]methanol
CID 117045082
5-fluoro-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzenecarbothioamide
CID 81203589

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine (CID 81214267) is 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine is Fc1ccc(CN2CCOC(CCl)C2)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
The InChIKey is YNRKSDUHOZMLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c13-6-11-8-16(3-4-17-11)7-9-1-2-10(15)5-12(9)14/h1-2,5,11H,3-4,6-8H2.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine?
4-[(2-chloro-4-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-4-fluorophenyl)methyl]-2-(chloromethyl)morpholine is sourced from PubChem (CID 81214267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).