2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine

C7H12BrF2NO3S — CID 102938083

IUPAC2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)C(F)F)CC(CBr)O1
InChIInChI=1S/C7H12BrF2NO3S/c1-5-3-11(4-6(2-8)14-5)15(12,13)7(9)10/h5-7H,2-4H2,1H3
InChIKeyOOLRXBLLFFUMLL-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.02
Rot. Bonds3

About 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine

2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine (PubChem CID 102938083) has the molecular formula C7H12BrF2NO3S and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine
PubChem CID102938083
Molecular FormulaC7H12BrF2NO3S
Molecular Weight308.14 g/mol
Exact Mass306.97
IUPAC Name2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine
SMILESCC1CN(S(=O)(=O)C(F)F)CC(CBr)O1
InChIInChI=1S/C7H12BrF2NO3S/c1-5-3-11(4-6(2-8)14-5)15(12,13)7(9)10/h5-7H,2-4H2,1H3
InChIKeyOOLRXBLLFFUMLL-UHFFFAOYSA-N
XLogP1.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine (CID 102938083) is 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine is CC1CN(S(=O)(=O)C(F)F)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine?
The InChIKey is OOLRXBLLFFUMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2NO3S/c1-5-3-11(4-6(2-8)14-5)15(12,13)7(9)10/h5-7H,2-4H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine?
2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine has a molecular weight of 308.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(difluoromethylsulfonyl)-6-methylmorpholine is sourced from PubChem (CID 102938083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).