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

C7H12F3NO4S — CID 102934840

IUPAC[6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C7H12F3NO4S/c1-5-2-11(3-6(4-12)15-5)16(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyJIXXIKRJHQLGRA-UHFFFAOYSA-N
MW263.24 g/mol
LogP-0.08
Rot. Bonds2

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

[6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol (PubChem CID 102934840) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol
PubChem CID102934840
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name[6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)C(F)(F)F)CC(CO)O1
InChIInChI=1S/C7H12F3NO4S/c1-5-2-11(3-6(4-12)15-5)16(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyJIXXIKRJHQLGRA-UHFFFAOYSA-N
XLogP-0.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol (CID 102934840) is [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol is CC1CN(S(=O)(=O)C(F)(F)F)CC(CO)O1.
What is the InChIKey of [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol?
The InChIKey is JIXXIKRJHQLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-5-2-11(3-6(4-12)15-5)16(13,14)7(8,9)10/h5-6,12H,2-4H2,1H3.
What are the key properties of [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol?
[6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol has a molecular weight of 263.24 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102934840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).