2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine

C12H16FNO4S — CID 117467306

IUPAC2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
SMILESCOc1c(C2CNCCO2)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C12H16FNO4S/c1-17-12-8(9-7-14-5-6-18-9)3-4-10(11(12)13)19(2,15)16/h3-4,9,14H,5-7H2,1-2H3
InChIKeySCIFAHFXHFMAKJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine

2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine (PubChem CID 117467306) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
PubChem CID117467306
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine
SMILESCOc1c(C2CNCCO2)ccc(S(C)(=O)=O)c1F
InChIInChI=1S/C12H16FNO4S/c1-17-12-8(9-7-14-5-6-18-9)3-4-10(11(12)13)19(2,15)16/h3-4,9,14H,5-7H2,1-2H3
InChIKeySCIFAHFXHFMAKJ-UHFFFAOYSA-N
XLogP0.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463652
2-(3-methoxy-2,4-dimethylphenyl)morpholine
CID 117316054
2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde
CID 117380901
2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine
CID 117444045
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500
2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-(7-methoxy-1H-indol-4-yl)morpholine
CID 115004261
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
2-(2-ethoxy-3,4-dimethoxyphenyl)morpholine
CID 117421767
2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine?
The IUPAC name of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine (CID 117467306) is 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine?
The canonical SMILES for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine is COc1c(C2CNCCO2)ccc(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine?
The InChIKey is SCIFAHFXHFMAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-17-12-8(9-7-14-5-6-18-9)3-4-10(11(12)13)19(2,15)16/h3-4,9,14H,5-7H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine?
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine has a molecular weight of 289.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)morpholine is sourced from PubChem (CID 117467306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).