2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine

C13H16ClF2NO — CID 81210281

IUPAC2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine
SMILESCC1COC(CCl)CN1Cc1ccc(F)cc1F
InChIInChI=1S/C13H16ClF2NO/c1-9-8-18-12(5-14)7-17(9)6-10-2-3-11(15)4-13(10)16/h2-4,9,12H,5-8H2,1H3
InChIKeyBUFLXQXLAXSSDC-UHFFFAOYSA-N
MW275.73 g/mol
LogP2.79
Rot. Bonds3

About 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine

2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine (PubChem CID 81210281) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine
PubChem CID81210281
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine
SMILESCC1COC(CCl)CN1Cc1ccc(F)cc1F
InChIInChI=1S/C13H16ClF2NO/c1-9-8-18-12(5-14)7-17(9)6-10-2-3-11(15)4-13(10)16/h2-4,9,12H,5-8H2,1H3
InChIKeyBUFLXQXLAXSSDC-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 52.79
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

4-[(4-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)-5-methylmorpholine
CID 114859370
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
2-(chloromethyl)-4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylmorpholine
CID 81209952
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
3-chloro-4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 102666322
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
2-(chloromethyl)-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine
CID 81210645
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine (CID 81210281) is 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine is CC1COC(CCl)CN1Cc1ccc(F)cc1F.
What is the InChIKey of 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine?
The InChIKey is BUFLXQXLAXSSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c1-9-8-18-12(5-14)7-17(9)6-10-2-3-11(15)4-13(10)16/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine?
2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine has a molecular weight of 275.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[(2,4-difluorophenyl)methyl]-5-methylmorpholine is sourced from PubChem (CID 81210281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).