5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine

C13H18FNO2 — CID 82292471

IUPAC5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCC(COc2cccc(F)c2)N1
InChIInChI=1S/C13H18FNO2/c1-13(2)9-16-7-11(15-13)8-17-12-5-3-4-10(14)6-12/h3-6,11,15H,7-9H2,1-2H3
InChIKeyFJHQGCOYRUPJIV-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.97
Rot. Bonds3

About 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine

5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine (PubChem CID 82292471) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine
PubChem CID82292471
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCC(COc2cccc(F)c2)N1
InChIInChI=1S/C13H18FNO2/c1-13(2)9-16-7-11(15-13)8-17-12-5-3-4-10(14)6-12/h3-6,11,15H,7-9H2,1-2H3
InChIKeyFJHQGCOYRUPJIV-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-(phenoxymethyl)morpholine
CID 82286534
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
CID 121208144
3-[(3-fluorophenoxy)methyl]thiomorpholine
CID 82287984
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
4-amino-N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66249079
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
5-[(3-chlorophenoxy)methyl]-2-methylmorpholine
CID 82293207
5-[2-(4-chlorophenyl)ethyl]-3,3-dimethylmorpholine
CID 82298646
(2S)-2-[(3-fluorophenoxy)methyl]-1,3-thiazolidin-3-ium
CID 7100658

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine (CID 82292471) is 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine is CC1(C)COCC(COc2cccc(F)c2)N1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine?
The InChIKey is FJHQGCOYRUPJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2)9-16-7-11(15-13)8-17-12-5-3-4-10(14)6-12/h3-6,11,15H,7-9H2,1-2H3.
What are the key properties of 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine?
5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine has a molecular weight of 239.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 82292471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).