4-[2-(difluoromethylsulfonyl)phenyl]morpholine

C11H13F2NO3S — CID 133282213

IUPAC4-[2-(difluoromethylsulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOCC1)C(F)F
InChIInChI=1S/C11H13F2NO3S/c12-11(13)18(15,16)10-4-2-1-3-9(10)14-5-7-17-8-6-14/h1-4,11H,5-8H2
InChIKeyVWOLPMIXHQDHLN-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.52
Rot. Bonds3

About 4-[2-(difluoromethylsulfonyl)phenyl]morpholine

4-[2-(difluoromethylsulfonyl)phenyl]morpholine (PubChem CID 133282213) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[2-(difluoromethylsulfonyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-(difluoromethylsulfonyl)phenyl]morpholine
PubChem CID133282213
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name4-[2-(difluoromethylsulfonyl)phenyl]morpholine
SMILESO=S(=O)(c1ccccc1N1CCOCC1)C(F)F
InChIInChI=1S/C11H13F2NO3S/c12-11(13)18(15,16)10-4-2-1-3-9(10)14-5-7-17-8-6-14/h1-4,11H,5-8H2
InChIKeyVWOLPMIXHQDHLN-UHFFFAOYSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
The IUPAC name of 4-[2-(difluoromethylsulfonyl)phenyl]morpholine (CID 133282213) is 4-[2-(difluoromethylsulfonyl)phenyl]morpholine.
What is the SMILES notation for 4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
The canonical SMILES for 4-[2-(difluoromethylsulfonyl)phenyl]morpholine is O=S(=O)(c1ccccc1N1CCOCC1)C(F)F.
What is the InChIKey of 4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
The InChIKey is VWOLPMIXHQDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c12-11(13)18(15,16)10-4-2-1-3-9(10)14-5-7-17-8-6-14/h1-4,11H,5-8H2.
What are the key properties of 4-[2-(difluoromethylsulfonyl)phenyl]morpholine?
4-[2-(difluoromethylsulfonyl)phenyl]morpholine has a molecular weight of 277.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethylsulfonyl)phenyl]morpholine is sourced from PubChem (CID 133282213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).