4-(difluoromethylsulfonyl)morpholine

C5H9F2NO3S — CID 58435985

IUPAC4-(difluoromethylsulfonyl)morpholine
SMILESO=S(=O)(C(F)F)N1CCOCC1
InChIInChI=1S/C5H9F2NO3S/c6-5(7)12(9,10)8-1-3-11-4-2-8/h5H,1-4H2
InChIKeyQKWWXTHRUYJHDJ-UHFFFAOYSA-N
MW201.19 g/mol
LogP-0.13
Rot. Bonds2

About 4-(difluoromethylsulfonyl)morpholine

4-(difluoromethylsulfonyl)morpholine (PubChem CID 58435985) has the molecular formula C5H9F2NO3S and a molecular weight of 201.19 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)morpholine
PubChem CID58435985
Molecular FormulaC5H9F2NO3S
Molecular Weight201.19 g/mol
Exact Mass201.03
IUPAC Name4-(difluoromethylsulfonyl)morpholine
SMILESO=S(=O)(C(F)F)N1CCOCC1
InChIInChI=1S/C5H9F2NO3S/c6-5(7)12(9,10)8-1-3-11-4-2-8/h5H,1-4H2
InChIKeyQKWWXTHRUYJHDJ-UHFFFAOYSA-N
XLogP-0.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)morpholine?
The IUPAC name of 4-(difluoromethylsulfonyl)morpholine (CID 58435985) is 4-(difluoromethylsulfonyl)morpholine.
What is the SMILES notation for 4-(difluoromethylsulfonyl)morpholine?
The canonical SMILES for 4-(difluoromethylsulfonyl)morpholine is O=S(=O)(C(F)F)N1CCOCC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)morpholine?
The InChIKey is QKWWXTHRUYJHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3S/c6-5(7)12(9,10)8-1-3-11-4-2-8/h5H,1-4H2.
What are the key properties of 4-(difluoromethylsulfonyl)morpholine?
4-(difluoromethylsulfonyl)morpholine has a molecular weight of 201.19 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)morpholine is sourced from PubChem (CID 58435985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).