6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine

C13H17ClFNO — CID 65102383

IUPAC6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine
SMILESCCC1(C)CNCC(c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C13H17ClFNO/c1-3-13(2)8-16-7-12(17-13)9-4-5-11(15)10(14)6-9/h4-6,12,16H,3,7-8H2,1-2H3
InChIKeyRREUZLQKIDWOEL-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.31
Rot. Bonds2

About 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine

6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine (PubChem CID 65102383) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine
PubChem CID65102383
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine
SMILESCCC1(C)CNCC(c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C13H17ClFNO/c1-3-13(2)8-16-7-12(17-13)9-4-5-11(15)10(14)6-9/h4-6,12,16H,3,7-8H2,1-2H3
InChIKeyRREUZLQKIDWOEL-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine (CID 65102383) is 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine is CCC1(C)CNCC(c2ccc(F)c(Cl)c2)O1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine?
The InChIKey is RREUZLQKIDWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-3-13(2)8-16-7-12(17-13)9-4-5-11(15)10(14)6-9/h4-6,12,16H,3,7-8H2,1-2H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine?
6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine has a molecular weight of 257.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine is sourced from PubChem (CID 65102383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).