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

C10H18F3NO4S — CID 102934925

IUPAC[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)CCCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C10H18F3NO4S/c1-8-5-14(6-9(7-15)18-8)19(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyBVFGTNGKSIZTEO-UHFFFAOYSA-N
MW305.32 g/mol
LogP0.74
Rot. Bonds5

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

[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol (PubChem CID 102934925) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
PubChem CID102934925
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)CCCC(F)(F)F)CC(CO)O1
InChIInChI=1S/C10H18F3NO4S/c1-8-5-14(6-9(7-15)18-8)19(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyBVFGTNGKSIZTEO-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((2R,6S)-2,6-dimethylmorpholin-4-yl)sulfonyl)ethan-1-ol
CID 104959533
[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
2-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]oxyethanol
CID 83059098
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
[4-(Difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol
CID 102934959

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol (CID 102934925) is [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol is CC1CN(S(=O)(=O)CCCC(F)(F)F)CC(CO)O1.
What is the InChIKey of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The InChIKey is BVFGTNGKSIZTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-8-5-14(6-9(7-15)18-8)19(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
[6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol has a molecular weight of 305.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102934925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).