[6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol

C11H20F3NO4S — CID 114779137

IUPAC[6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)CCCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C11H20F3NO4S/c1-10(2)8-15(6-9(7-16)19-10)20(17,18)5-3-4-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyPXOWCMLOHIBNKH-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.13
Rot. Bonds5

About [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol

[6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol (PubChem CID 114779137) has the molecular formula C11H20F3NO4S and a molecular weight of 319.35 g/mol. Its IUPAC name is [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
PubChem CID114779137
Molecular FormulaC11H20F3NO4S
Molecular Weight319.35 g/mol
Exact Mass319.11
IUPAC Name[6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)CCCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C11H20F3NO4S/c1-10(2)8-15(6-9(7-16)19-10)20(17,18)5-3-4-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeyPXOWCMLOHIBNKH-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-4-(2-ethoxyethylsulfonyl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 164641913
[4-(Difluoromethylsulfonyl)morpholin-2-yl]methanol
CID 81219011
[4-(Difluoromethylsulfonyl)-5-methylmorpholin-2-yl]methanol
CID 81219425
[4-(Trifluoromethylsulfonyl)morpholin-2-yl]methanol
CID 81219497
[4-(4,4,4-Trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 83058519
[5-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 83058648
4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbutane-1-sulfonamide
CID 83059268
1,1,1-Trifluoro-4-morpholin-4-ylsulfonylbutan-2-ol
CID 101759383
[6-Methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol
CID 102934840
[6-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 102934925
[4-(Difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol
CID 102934959
[6,6-Dimethyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol
CID 113632378

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol (CID 114779137) is [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol is CC1(C)CN(S(=O)(=O)CCCC(F)(F)F)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The InChIKey is PXOWCMLOHIBNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO4S/c1-10(2)8-15(6-9(7-16)19-10)20(17,18)5-3-4-11(12,13)14/h9,16H,3-8H2,1-2H3.
What are the key properties of [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
[6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol has a molecular weight of 319.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114779137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).