2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride

C12H15Cl3FNO2 — CID 141261156

IUPAC2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H14Cl2FNO2.ClH/c13-9-6-10(14)11(15)5-8(9)12-7-16(1-3-17)2-4-18-12;/h5-6,12,17H,1-4,7H2;1H
InChIKeyFLJZJHLOLISEKK-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.92
Rot. Bonds3

About 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride

2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride (PubChem CID 141261156) has the molecular formula C12H15Cl3FNO2 and a molecular weight of 330.61 g/mol. Its IUPAC name is 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
PubChem CID141261156
Molecular FormulaC12H15Cl3FNO2
Molecular Weight330.61 g/mol
Exact Mass329.02
IUPAC Name2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C12H14Cl2FNO2.ClH/c13-9-6-10(14)11(15)5-8(9)12-7-16(1-3-17)2-4-18-12;/h5-6,12,17H,1-4,7H2;1H
InChIKeyFLJZJHLOLISEKK-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95303821
(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95303237
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
CID 124505775
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959756
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959772
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
1-[2-(4-bromophenoxy)ethoxy]-3-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138959824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride (CID 141261156) is 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride is Cl.OCCN1CCOC(c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride?
The InChIKey is FLJZJHLOLISEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO2.ClH/c13-9-6-10(14)11(15)5-8(9)12-7-16(1-3-17)2-4-18-12;/h5-6,12,17H,1-4,7H2;1H.
What are the key properties of 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride?
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride has a molecular weight of 330.61 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride is sourced from PubChem (CID 141261156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).