[4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol

C8H15F2NO4S — CID 114779163

IUPAC[4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)C(F)F)CC(CO)O1
InChIInChI=1S/C8H15F2NO4S/c1-8(2)5-11(3-6(4-12)15-8)16(13,14)7(9)10/h6-7,12H,3-5H2,1-2H3
InChIKeyMLKPPZRZVYHTPJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.01
Rot. Bonds3

About [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779163) has the molecular formula C8H15F2NO4S and a molecular weight of 259.27 g/mol. Its IUPAC name is [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779163
Molecular FormulaC8H15F2NO4S
Molecular Weight259.27 g/mol
Exact Mass259.07
IUPAC Name[4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)C(F)F)CC(CO)O1
InChIInChI=1S/C8H15F2NO4S/c1-8(2)5-11(3-6(4-12)15-8)16(13,14)7(9)10/h6-7,12H,3-5H2,1-2H3
InChIKeyMLKPPZRZVYHTPJ-UHFFFAOYSA-N
XLogP0.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-Methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol
CID 81218693
[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
[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
[6,6-Dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 114779137
6-(hydroxymethyl)-2,2-dimethyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
CID 114809892

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114779163) is [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(S(=O)(=O)C(F)F)CC(CO)O1.
What is the InChIKey of [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is MLKPPZRZVYHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO4S/c1-8(2)5-11(3-6(4-12)15-8)16(13,14)7(9)10/h6-7,12H,3-5H2,1-2H3.
What are the key properties of [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 259.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).