2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine

C13H18FNO3S — CID 117463646

IUPAC2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
SMILESCOc1c(C2CNCCO2)cc(F)c(SC)c1OC
InChIInChI=1S/C13H18FNO3S/c1-16-11-8(10-7-15-4-5-18-10)6-9(14)13(19-3)12(11)17-2/h6,10,15H,4-5,7H2,1-3H3
InChIKeyBIASSTHEZFWTMB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.23
Rot. Bonds4

About 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine

2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine (PubChem CID 117463646) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
PubChem CID117463646
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
SMILESCOc1c(C2CNCCO2)cc(F)c(SC)c1OC
InChIInChI=1S/C13H18FNO3S/c1-16-11-8(10-7-15-4-5-18-10)6-9(14)13(19-3)12(11)17-2/h6,10,15H,4-5,7H2,1-3H3
InChIKeyBIASSTHEZFWTMB-UHFFFAOYSA-N
XLogP2.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine
CID 117470350
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2-(2-fluoro-5-methylsulfanylphenyl)morpholine
CID 115111871
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
CID 117467306
2-(2-fluoro-5-methoxy-3-methylphenyl)morpholine
CID 84790102

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine?
The IUPAC name of 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine (CID 117463646) is 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine.
What is the SMILES notation for 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine?
The canonical SMILES for 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine is COc1c(C2CNCCO2)cc(F)c(SC)c1OC.
What is the InChIKey of 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine?
The InChIKey is BIASSTHEZFWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-16-11-8(10-7-15-4-5-18-10)6-9(14)13(19-3)12(11)17-2/h6,10,15H,4-5,7H2,1-3H3.
What are the key properties of 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine?
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine has a molecular weight of 287.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine is sourced from PubChem (CID 117463646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).