2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine

C9H16F3NO3S — CID 162424387

IUPAC2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine
SMILESCC(C)(C)C1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H16F3NO3S/c1-8(2,3)7-6-13(4-5-16-7)17(14,15)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyPPDUPZVHXVWVQV-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.58
Rot. Bonds1

About 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine

2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine (PubChem CID 162424387) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine.

Molecular Properties

Compound Name2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine
PubChem CID162424387
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine
SMILESCC(C)(C)C1CN(S(=O)(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H16F3NO3S/c1-8(2,3)7-6-13(4-5-16-7)17(14,15)9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyPPDUPZVHXVWVQV-UHFFFAOYSA-N
XLogP1.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine?
The IUPAC name of 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine (CID 162424387) is 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine.
What is the SMILES notation for 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine?
The canonical SMILES for 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine is CC(C)(C)C1CN(S(=O)(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine?
The InChIKey is PPDUPZVHXVWVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c1-8(2,3)7-6-13(4-5-16-7)17(14,15)9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine?
2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine has a molecular weight of 275.29 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(trifluoromethylsulfonyl)morpholine is sourced from PubChem (CID 162424387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).