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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Related Compounds

(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
2-(3-bromo-4-fluorophenyl)-5-methylmorpholine
CID 62913908
3-(3,5-difluorophenyl)-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]oxazepine
CID 106364310
3-(3,5-difluorophenyl)-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364200
5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 43367137
(2S,5S)-5-methyl-2-(3-methylphenyl)morpholine
CID 39238398
5-methyl-2-naphthalen-2-ylmorpholine
CID 43367075
2-(4-ethoxy-3-fluorophenyl)-5-methylmorpholine
CID 82292465
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
5-methyl-2-(4-propan-2-ylphenyl)morpholine
CID 43174769
(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
CID 134607229
2-(2,5-dimethylfuran-3-yl)-5-methylmorpholine
CID 43367066

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).