2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol

C13H17ClFNO2 — CID 114012662

IUPAC2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H17ClFNO2/c1-16-4-5-18-13(8-16)12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,12-13,17H,4-5,7-8H2,1H3
InChIKeyXHJXUPCUIZWMQF-UHFFFAOYSA-N
MW273.73 g/mol
LogP1.71
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol

2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol (PubChem CID 114012662) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
PubChem CID114012662
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
SMILESCN1CCOC(C(O)Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H17ClFNO2/c1-16-4-5-18-13(8-16)12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,12-13,17H,4-5,7-8H2,1H3
InChIKeyXHJXUPCUIZWMQF-UHFFFAOYSA-N
XLogP1.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
2-(4-tert-butylphenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086894
2-(3,4-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 82919753
2-(3,4-difluorophenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922361
2-(2-amino-4-pyridinyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087290
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459
2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086890
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666603
N-[2-(3,4-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095154
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 107894346
[2-(2-chloro-5-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 102623373

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol (CID 114012662) is 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol is CN1CCOC(C(O)Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
The InChIKey is XHJXUPCUIZWMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-16-4-5-18-13(8-16)12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,12-13,17H,4-5,7-8H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol?
2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol has a molecular weight of 273.73 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol is sourced from PubChem (CID 114012662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).