2-methyl-4-(trifluoromethylsulfonyl)morpholine

C6H10F3NO3S — CID 166683997

IUPAC2-methyl-4-(trifluoromethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C6H10F3NO3S/c1-5-4-10(2-3-13-5)14(11,12)6(7,8)9/h5H,2-4H2,1H3
InChIKeyXRMBNNAPAQIISV-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.56
Rot. Bonds1

About 2-methyl-4-(trifluoromethylsulfonyl)morpholine

2-methyl-4-(trifluoromethylsulfonyl)morpholine (PubChem CID 166683997) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethylsulfonyl)morpholine
PubChem CID166683997
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name2-methyl-4-(trifluoromethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C6H10F3NO3S/c1-5-4-10(2-3-13-5)14(11,12)6(7,8)9/h5H,2-4H2,1H3
InChIKeyXRMBNNAPAQIISV-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(trifluoromethylsulfonyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethylsulfonyl)morpholine?
The IUPAC name of 2-methyl-4-(trifluoromethylsulfonyl)morpholine (CID 166683997) is 2-methyl-4-(trifluoromethylsulfonyl)morpholine.
What is the SMILES notation for 2-methyl-4-(trifluoromethylsulfonyl)morpholine?
The canonical SMILES for 2-methyl-4-(trifluoromethylsulfonyl)morpholine is CC1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-4-(trifluoromethylsulfonyl)morpholine?
The InChIKey is XRMBNNAPAQIISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-5-4-10(2-3-13-5)14(11,12)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethylsulfonyl)morpholine?
2-methyl-4-(trifluoromethylsulfonyl)morpholine has a molecular weight of 233.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethylsulfonyl)morpholine is sourced from PubChem (CID 166683997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).