3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine

C13H26FNO3S — CID 106735979

IUPAC3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine
SMILESCC(F)(CCS(=O)(=O)C(C)(C)C)CC1COCCN1
InChIInChI=1S/C13H26FNO3S/c1-12(2,3)19(16,17)8-5-13(4,14)9-11-10-18-7-6-15-11/h11,15H,5-10H2,1-4H3
InChIKeyJXIBQJGBJFPXOT-UHFFFAOYSA-N
MW295.42 g/mol
LogP1.70
Rot. Bonds5

About 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine

3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine (PubChem CID 106735979) has the molecular formula C13H26FNO3S and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine.

Molecular Properties

Compound Name3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine
PubChem CID106735979
Molecular FormulaC13H26FNO3S
Molecular Weight295.42 g/mol
Exact Mass295.16
IUPAC Name3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine
SMILESCC(F)(CCS(=O)(=O)C(C)(C)C)CC1COCCN1
InChIInChI=1S/C13H26FNO3S/c1-12(2,3)19(16,17)8-5-13(4,14)9-11-10-18-7-6-15-11/h11,15H,5-10H2,1-4H3
InChIKeyJXIBQJGBJFPXOT-UHFFFAOYSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine?
The IUPAC name of 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine (CID 106735979) is 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine.
What is the SMILES notation for 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine?
The canonical SMILES for 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine is CC(F)(CCS(=O)(=O)C(C)(C)C)CC1COCCN1.
What is the InChIKey of 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine?
The InChIKey is JXIBQJGBJFPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO3S/c1-12(2,3)19(16,17)8-5-13(4,14)9-11-10-18-7-6-15-11/h11,15H,5-10H2,1-4H3.
What are the key properties of 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine?
3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine has a molecular weight of 295.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine is sourced from PubChem (CID 106735979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).