2-(3,5-difluorophenyl)-5-methylmorpholine

C11H13F2NO — CID 78021784

IUPAC2-(3,5-difluorophenyl)-5-methylmorpholine
SMILESCC1COC(c2cc(F)cc(F)c2)CN1
InChIInChI=1S/C11H13F2NO/c1-7-6-15-11(5-14-7)8-2-9(12)4-10(13)3-8/h2-4,7,11,14H,5-6H2,1H3
InChIKeySZLCZGWFZMZNJV-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.01
Rot. Bonds1

About 2-(3,5-difluorophenyl)-5-methylmorpholine

2-(3,5-difluorophenyl)-5-methylmorpholine (PubChem CID 78021784) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-methylmorpholine
PubChem CID78021784
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(3,5-difluorophenyl)-5-methylmorpholine
SMILESCC1COC(c2cc(F)cc(F)c2)CN1
InChIInChI=1S/C11H13F2NO/c1-7-6-15-11(5-14-7)8-2-9(12)4-10(13)3-8/h2-4,7,11,14H,5-6H2,1H3
InChIKeySZLCZGWFZMZNJV-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-methylmorpholine?
The IUPAC name of 2-(3,5-difluorophenyl)-5-methylmorpholine (CID 78021784) is 2-(3,5-difluorophenyl)-5-methylmorpholine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-methylmorpholine?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-methylmorpholine is CC1COC(c2cc(F)cc(F)c2)CN1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-methylmorpholine?
The InChIKey is SZLCZGWFZMZNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7-6-15-11(5-14-7)8-2-9(12)4-10(13)3-8/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-5-methylmorpholine?
2-(3,5-difluorophenyl)-5-methylmorpholine has a molecular weight of 213.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-methylmorpholine is sourced from PubChem (CID 78021784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).