4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine

C13H18FNO3S — CID 73053533

IUPAC4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c14-13-3-1-12(2-4-13)11-19(16,17)10-7-15-5-8-18-9-6-15/h1-4H,5-11H2
InChIKeyOUBJSWJWKABTAM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.07
Rot. Bonds5

About 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine

4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine (PubChem CID 73053533) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine
PubChem CID73053533
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine
SMILESO=S(=O)(CCN1CCOCC1)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3S/c14-13-3-1-12(2-4-13)11-19(16,17)10-7-15-5-8-18-9-6-15/h1-4H,5-11H2
InChIKeyOUBJSWJWKABTAM-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine?
The IUPAC name of 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine (CID 73053533) is 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine is O=S(=O)(CCN1CCOCC1)Cc1ccc(F)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine?
The InChIKey is OUBJSWJWKABTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c14-13-3-1-12(2-4-13)11-19(16,17)10-7-15-5-8-18-9-6-15/h1-4H,5-11H2.
What are the key properties of 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine?
4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine has a molecular weight of 287.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]morpholine is sourced from PubChem (CID 73053533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).